From ad8917263f96b1ad453761d5e9ea6f65b9e3a4e3 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Mon, 14 Oct 2024 08:19:18 +0200 Subject: [PATCH 01/87] install chopper from nf-core/chopper --- modules.json | 5 ++ modules/nf-core/chopper/environment.yml | 5 ++ modules/nf-core/chopper/main.nf | 42 +++++++++++++ modules/nf-core/chopper/meta.yml | 60 +++++++++++++++++++ modules/nf-core/chopper/tests/main.nf.test | 45 ++++++++++++++ .../nf-core/chopper/tests/main.nf.test.snap | 16 +++++ modules/nf-core/chopper/tests/tags.yml | 2 + 7 files changed, 175 insertions(+) create mode 100644 modules/nf-core/chopper/environment.yml create mode 100644 modules/nf-core/chopper/main.nf create mode 100644 modules/nf-core/chopper/meta.yml create mode 100644 modules/nf-core/chopper/tests/main.nf.test create mode 100644 modules/nf-core/chopper/tests/main.nf.test.snap create mode 100644 modules/nf-core/chopper/tests/tags.yml diff --git a/modules.json b/modules.json index a72556a7..40573cbc 100644 --- a/modules.json +++ b/modules.json @@ -62,6 +62,11 @@ "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, + "chopper": { + "branch": "master", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "installed_by": ["modules"] + }, "concoct/concoct": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", diff --git a/modules/nf-core/chopper/environment.yml b/modules/nf-core/chopper/environment.yml new file mode 100644 index 00000000..e80840e1 --- /dev/null +++ b/modules/nf-core/chopper/environment.yml @@ -0,0 +1,5 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::chopper=0.3.0 diff --git a/modules/nf-core/chopper/main.nf b/modules/nf-core/chopper/main.nf new file mode 100644 index 00000000..06f79849 --- /dev/null +++ b/modules/nf-core/chopper/main.nf @@ -0,0 +1,42 @@ +process CHOPPER { + tag "$meta.id" + label 'process_medium' + + conda "${moduleDir}/environment.yml" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/chopper:0.3.0--hd03093a_0': + 'biocontainers/chopper:0.3.0--hd03093a_0' }" + + input: + tuple val(meta), path(fastq) + + output: + tuple val(meta), path("*.fastq.gz") , emit: fastq + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + def args2 = task.ext.args2 ?: '' + def args3 = task.ext.args3 ?: '' + def prefix = task.ext.prefix ?: "${meta.id}" + + if ("$fastq" == "${prefix}.fastq.gz") error "Input and output names are the same, set prefix in module configuration to disambiguate!" + """ + zcat \\ + $args \\ + $fastq | \\ + chopper \\ + --threads $task.cpus \\ + $args2 | \\ + gzip \\ + $args3 > ${prefix}.fastq.gz + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + chopper: \$(chopper --version 2>&1 | cut -d ' ' -f 2) + END_VERSIONS + """ +} diff --git a/modules/nf-core/chopper/meta.yml b/modules/nf-core/chopper/meta.yml new file mode 100644 index 00000000..916c865e --- /dev/null +++ b/modules/nf-core/chopper/meta.yml @@ -0,0 +1,60 @@ +name: "chopper" +description: Filter and trim long read data. +keywords: + - filter + - trimming + - fastq + - nanopore + - qc +tools: + - "zcat": + description: "zcat uncompresses either a list of files on the command line or + its standard input and writes the uncompressed data on standard output." + documentation: "https://linux.die.net/man/1/zcat" + args_id: "$args" + identifier: "" + - "chopper": + description: "A rust command line for filtering and trimming long reads." + homepage: "https://github.com/wdecoster/chopper" + documentation: "https://github.com/wdecoster/chopper" + tool_dev_url: "https://github.com/wdecoster/chopper" + doi: "10.1093/bioinformatics/bty149" + licence: ["MIT"] + args_id: "$args2" + identifier: "" + - "gzip": + description: "Gzip reduces the size of the named files using Lempel-Ziv coding + (LZ77)." + documentation: "https://linux.die.net/man/1/gzip" + args_id: "$args3" + identifier: "" +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - fastq: + type: file + description: FastQ with reads from long read sequencing e.g. PacBio or ONT + pattern: "*.{fastq.gz}" +output: + - fastq: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.fastq.gz": + type: file + description: Filtered and trimmed FastQ file + pattern: "*.{fastq.gz}" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" +authors: + - "@FynnFreyer" +maintainers: + - "@FynnFreyer" diff --git a/modules/nf-core/chopper/tests/main.nf.test b/modules/nf-core/chopper/tests/main.nf.test new file mode 100644 index 00000000..ee195b5f --- /dev/null +++ b/modules/nf-core/chopper/tests/main.nf.test @@ -0,0 +1,45 @@ +nextflow_process { + + name "Test Process CHOPPER" + script "../main.nf" + process "CHOPPER" + tag "chopper" + tag "modules" + tag "modules_nfcore" + + test("Should run without failures") { + + when { + params { + outdir = "$outputDir" + } + process { + """ + input[0] = [ + [id:'test_out' ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) + ] + """ + } + } + + then { + + def fastq_content = path(process.out.fastq.get(0).get(1)).linesGzip + + assertAll( + { assert process.success }, + // original pytest checks + { assert process.out.fastq.get(0).get(1) ==~ ".*/test_out.fastq.gz" }, + { assert fastq_content.contains("@2109d790-67ec-4fd1-8931-6c7e61908ff3 runid=97ca62ca093ff43533aa34c38a10b1d6325e7e7b read=52274 ch=243 start_time=2021-02-05T23:27:30Z flow_cell_id=FAP51364 protocol_group_id=data sample_id=RN20097 barcode=barcode01 barcode_alias=barcode01")}, + // additional nf-test checks + // Order of reads is not deterministic, so only assess whether the number of reads is correct + { assert snapshot(fastq_content.size()).match("number_of_lines") }, + { assert snapshot(process.out.versions).match("versions") } + + ) + } + + } + +} diff --git a/modules/nf-core/chopper/tests/main.nf.test.snap b/modules/nf-core/chopper/tests/main.nf.test.snap new file mode 100644 index 00000000..d2587e66 --- /dev/null +++ b/modules/nf-core/chopper/tests/main.nf.test.snap @@ -0,0 +1,16 @@ +{ + "versions": { + "content": [ + [ + "versions.yml:md5,5fe28ea455482c9fe88603ddcc461881" + ] + ], + "timestamp": "2023-10-20T08:27:24.592662298" + }, + "number_of_lines": { + "content": [ + 400 + ], + "timestamp": "2023-10-20T08:27:24.581289647" + } +} \ No newline at end of file diff --git a/modules/nf-core/chopper/tests/tags.yml b/modules/nf-core/chopper/tests/tags.yml new file mode 100644 index 00000000..89b6233b --- /dev/null +++ b/modules/nf-core/chopper/tests/tags.yml @@ -0,0 +1,2 @@ +chopper: + - modules/nf-core/chopper/** From c614c0130fbdf8db8182ddb5920568a78b0bc6d7 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Mon, 14 Oct 2024 11:37:14 +0200 Subject: [PATCH 02/87] Add nanoq from nf-core/nanoq, and add code in longread_preprocessing subworkflow for alternative use of chopper for lambda-removal instead of nanolyse, and nanoq for longread filtering instead of filtlong --- modules.json | 5 + modules/nf-core/nanoq/environment.yml | 7 + modules/nf-core/nanoq/main.nf | 49 ++++ modules/nf-core/nanoq/meta.yml | 63 +++++ modules/nf-core/nanoq/tests/main.nf.test | 122 ++++++++ modules/nf-core/nanoq/tests/main.nf.test.snap | 267 ++++++++++++++++++ modules/nf-core/nanoq/tests/tags.yml | 2 + subworkflows/local/longread_preprocessing.nf | 43 ++- 8 files changed, 546 insertions(+), 12 deletions(-) create mode 100644 modules/nf-core/nanoq/environment.yml create mode 100644 modules/nf-core/nanoq/main.nf create mode 100644 modules/nf-core/nanoq/meta.yml create mode 100644 modules/nf-core/nanoq/tests/main.nf.test create mode 100644 modules/nf-core/nanoq/tests/main.nf.test.snap create mode 100644 modules/nf-core/nanoq/tests/tags.yml diff --git a/modules.json b/modules.json index 40573cbc..99e6d2e2 100644 --- a/modules.json +++ b/modules.json @@ -212,6 +212,11 @@ "git_sha": "3135090b46f308a260fc9d5991d7d2f9c0785309", "installed_by": ["modules"] }, + "nanoq": { + "branch": "master", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "installed_by": ["modules"] + }, "porechop/abi": { "branch": "master", "git_sha": "06c8865e36741e05ad32ef70ab3fac127486af48", diff --git a/modules/nf-core/nanoq/environment.yml b/modules/nf-core/nanoq/environment.yml new file mode 100644 index 00000000..1a95d24e --- /dev/null +++ b/modules/nf-core/nanoq/environment.yml @@ -0,0 +1,7 @@ +--- +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/environment-schema.json +channels: + - conda-forge + - bioconda +dependencies: + - "bioconda::nanoq=0.10.0" diff --git a/modules/nf-core/nanoq/main.nf b/modules/nf-core/nanoq/main.nf new file mode 100644 index 00000000..6d35a407 --- /dev/null +++ b/modules/nf-core/nanoq/main.nf @@ -0,0 +1,49 @@ +process NANOQ { + tag "$meta.id" + label 'process_low' + + conda "${moduleDir}/environment.yml" + container "${workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/nanoq:0.10.0--h031d066_2' : + 'biocontainers/nanoq:0.10.0--h031d066_2'}" + + input: + tuple val(meta), path(ontreads) + val(output_format) //One of the following: fastq, fastq.gz, fastq.bz2, fastq.lzma, fasta, fasta.gz, fasta.bz2, fasta.lzma. + + output: + tuple val(meta), path("*.{stats,json}") , emit: stats + tuple val(meta), path("*_filtered.${output_format}") , emit: reads + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: "${meta.id}_filtered" + """ + nanoq -i $ontreads \\ + ${args} \\ + -r ${prefix}.stats \\ + -o ${prefix}.$output_format + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + nanoq: \$(nanoq --version | sed -e 's/nanoq //g') + END_VERSIONS + """ + + stub: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: "${meta.id}_filtered" + """ + echo "" | gzip > ${prefix}.$output_format + touch ${prefix}.stats + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + nanoq: \$(nanoq --version | sed -e 's/nanoq //g') + END_VERSIONS + """ +} diff --git a/modules/nf-core/nanoq/meta.yml b/modules/nf-core/nanoq/meta.yml new file mode 100644 index 00000000..0ff2b9b4 --- /dev/null +++ b/modules/nf-core/nanoq/meta.yml @@ -0,0 +1,63 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/meta-schema.json +name: "nanoq" +description: Nanoq implements ultra-fast read filters and summary reports for high-throughput + nanopore reads. +keywords: + - nanoq + - Read filters + - Read trimming + - Read report +tools: + - "nanoq": + description: "Ultra-fast quality control and summary reports for nanopore reads" + homepage: "https://github.com/esteinig/nanoq" + documentation: "https://github.com/esteinig/nanoq" + tool_dev_url: "https://github.com/esteinig/nanoq" + doi: "10.21105/joss.02991" + licence: ["MIT"] + identifier: "" + +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. `[ id:'sample1', single_end:false ]` + - ontreads: + type: file + description: Compressed or uncompressed nanopore reads in fasta or fastq formats. + pattern: "*.{fa,fna,faa,fasta,fq,fastq}{,.gz,.bz2,.xz}" + - - output_format: + type: string + description: "Specifies the output format. One of these formats: fasta, fastq; + fasta.gz, fastq.gz; fasta.bz2, fastq.bz2; fasta.lzma, fastq.lzma." +output: + - stats: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. `[ id:'sample1', single_end:false ]` + - "*.{stats,json}": + type: file + description: Summary report of reads statistics. + pattern: "*.{stats,json}" + - reads: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. `[ id:'sample1', single_end:false ]` + - "*_filtered.${output_format}": + type: file + description: Filtered reads. + pattern: "*.{fasta,fastq}{,.gz,.bz2,.lzma}" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" +authors: + - "@LilyAnderssonLee" +maintainers: + - "@LilyAnderssonLee" diff --git a/modules/nf-core/nanoq/tests/main.nf.test b/modules/nf-core/nanoq/tests/main.nf.test new file mode 100644 index 00000000..ef63d12f --- /dev/null +++ b/modules/nf-core/nanoq/tests/main.nf.test @@ -0,0 +1,122 @@ +nextflow_process { + + name "Test Process NANOQ" + script "../main.nf" + process "NANOQ" + + tag "modules" + tag "modules_nfcore" + tag "nanoq" + + test("sarscov2 - nanopore_uncompressed") { + + when { + process { + """ + input[0] = [ + [ id:'test', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) + ] + + input[1] = 'fastq' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 - nanopore_compressed_gz") { + + when { + process { + """ + input[0] = [ + [ id:'test', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) + ] + input[1] = 'fastq.gz' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + test("sarscov2 - nanopore_compressed_bz2") { + + when { + process { + """ + input[0] = [ + [ id:'test', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) + ] + input[1] = 'fastq.bz2' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + test("sarscov2 - nanopore_compressed_lzma") { + + when { + process { + """ + input[0] = [ + [ id:'test', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) + ] + input[1] = 'fastq.lzma' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 - nanopore_compressed_gz - stub") { + + options "-stub" + + when { + process { + """ + input[0] = [ + [ id:'test', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) + ] + input[1] = 'fastq.gz' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + + } +} diff --git a/modules/nf-core/nanoq/tests/main.nf.test.snap b/modules/nf-core/nanoq/tests/main.nf.test.snap new file mode 100644 index 00000000..b5dda2a7 --- /dev/null +++ b/modules/nf-core/nanoq/tests/main.nf.test.snap @@ -0,0 +1,267 @@ +{ + "sarscov2 - nanopore_compressed_gz": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.gz:md5,7567d853ada6ac142332619d0b541d76" + ] + ], + "2": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ], + "reads": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.gz:md5,7567d853ada6ac142332619d0b541d76" + ] + ], + "stats": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "versions": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.04.1" + }, + "timestamp": "2024-07-11T11:39:32.117229" + }, + "sarscov2 - nanopore_compressed_gz - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "2": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ], + "reads": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "stats": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.04.1" + }, + "timestamp": "2024-07-11T11:42:06.039307" + }, + "sarscov2 - nanopore_compressed_bz2": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.bz2:md5,b53cf14fd4eb5b16c459c41f03cc8a4b" + ] + ], + "2": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ], + "reads": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.bz2:md5,b53cf14fd4eb5b16c459c41f03cc8a4b" + ] + ], + "stats": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "versions": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.04.1" + }, + "timestamp": "2024-07-11T11:39:36.674647" + }, + "sarscov2 - nanopore_compressed_lzma": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.lzma:md5,65dda701689f913734dc245b68c89e07" + ] + ], + "2": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ], + "reads": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq.lzma:md5,65dda701689f913734dc245b68c89e07" + ] + ], + "stats": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "versions": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.04.1" + }, + "timestamp": "2024-07-11T11:39:41.51344" + }, + "sarscov2 - nanopore_uncompressed": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq:md5,7567d853ada6ac142332619d0b541d76" + ] + ], + "2": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ], + "reads": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.fastq:md5,7567d853ada6ac142332619d0b541d76" + ] + ], + "stats": [ + [ + { + "id": "test", + "single_end": true + }, + "test_filtered.stats:md5,5ab32af3352dfeca8268e10edf6e4dbe" + ] + ], + "versions": [ + "versions.yml:md5,7a40efe417ff7dbb9e91e9c1629a04e6" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.04.1" + }, + "timestamp": "2024-07-11T11:39:26.868897" + } +} \ No newline at end of file diff --git a/modules/nf-core/nanoq/tests/tags.yml b/modules/nf-core/nanoq/tests/tags.yml new file mode 100644 index 00000000..37457df1 --- /dev/null +++ b/modules/nf-core/nanoq/tests/tags.yml @@ -0,0 +1,2 @@ +nanoq: + - "modules/nf-core/nanoq/**" diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf index ec434858..76c0fa45 100644 --- a/subworkflows/local/longread_preprocessing.nf +++ b/subworkflows/local/longread_preprocessing.nf @@ -8,6 +8,8 @@ include { NANOLYSE } from '../../mo include { PORECHOP_PORECHOP } from '../../modules/nf-core/porechop/porechop/main' include { PORECHOP_ABI } from '../../modules/nf-core/porechop/abi/main' include { FILTLONG } from '../../modules/nf-core/filtlong' +include { CHOPPER } from '../../modules/nf-core/chopper' +include { NANOQ } from '../../modules/nf-core/nanoq' workflow LONGREAD_PREPROCESSING { take: @@ -52,12 +54,21 @@ workflow LONGREAD_PREPROCESSING { } if (!params.keep_lambda) { - NANOLYSE ( - ch_long_reads, - ch_nanolyse_db - ) - ch_long_reads = NANOLYSE.out.fastq - ch_versions = ch_versions.mix(NANOLYSE.out.versions.first()) + if (params.longread_phageremoval_tool == 'chopper') { + CHOPPER ( + ch_long_reads + ) + ch_long_reads = CHOPPER.out.fastq + ch_versions = ch_versions.mix(CHOPPER.out.versions.first()) + } else if (params.longread_phageremoval_tool == 'nanolyse') { + NANOLYSE ( + ch_long_reads, + ch_nanolyse_db + ) + ch_long_reads = NANOLYSE.out.fastq + ch_versions = ch_versions.mix(NANOLYSE.out.versions.first()) + } + } // join long and short reads by sample name @@ -69,12 +80,20 @@ workflow LONGREAD_PREPROCESSING { .join(ch_short_reads_tmp, by: 0) .map { id, meta_lr, lr, meta_sr, sr -> [ meta_lr, sr, lr ] } // should not occur for single-end, since SPAdes (hybrid) does not support single-end - FILTLONG ( - ch_short_and_long_reads - ) - ch_long_reads = FILTLONG.out.reads - ch_versions = ch_versions.mix(FILTLONG.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log ) + if (params.longread_filtering_tool == 'filtlong') { + FILTLONG ( + ch_short_and_long_reads + ) + ch_long_reads = FILTLONG.out.reads + ch_versions = ch_versions.mix(FILTLONG.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log ) + } else if (params.longread_filtering_tool == 'nanoq') { + NANOQ ( + ch_long_reads + ) + ch_long_reads = NANOQ.out.reads + ch_versions = ch_versions.mix(NANOQ.out.versions.first()) + } NANOPLOT_FILTERED ( ch_long_reads From 7102af43231abcca40d30e0c4968d7b927976277 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Mon, 14 Oct 2024 15:18:40 +0200 Subject: [PATCH 03/87] Fix config for modules nanoq and filtlong in modules.config --- conf/modules.config | 47 +++++++++++++++++++- nextflow.config | 7 ++- nextflow_schema.json | 19 +++++++- subworkflows/local/longread_preprocessing.nf | 20 +++++---- 4 files changed, 79 insertions(+), 14 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index b226ba01..c3fb6a44 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -192,17 +192,40 @@ process { "--min_length ${params.longreads_min_length}", "--keep_percent ${params.longreads_keep_percent}", "--trim", - "--length_weight ${params.longreads_length_weight}" + "--length_weight ${params.longreads_length_weight}", + params.longreads_min_quality ? "--min_mean_q ${params.longreads_min_quality}" : '', ].join(' ').trim() publishDir = [ path: { "${params.outdir}/QC_longreads/Filtlong" }, mode: params.publish_dir_mode, pattern: "*_filtlong.fastq.gz", - enabled: params.save_filtlong_reads + enabled: params.save_filtered_reads ] ext.prefix = { "${meta.id}_run${meta.run}_filtlong" } } + withName: NANOQ { + ext.args = [ + "--min-len ${params.longreads_min_length}", + params.longreads_min_quality ? "--min-qual ${params.longreads_min_quality}": '', + "-vv" + ].join(' ').trim() + publishDir = [ + [ + path: { "${params.outdir}/QC_longreads/Nanoq" }, + mode: params.publish_dir_mode, + pattern: "*_nanoq_filtered.fastq.gz", + enabled: params.save_filtered_reads + ], + [ + path: { "${params.outdir}/QC_longreads/Nanoq" }, + mode: params.publish_dir_mode, + pattern: "*_nanoq_filtered.stats" + ] + ] + ext.prefix = { "${meta.id}_run${meta.run}_nanoq_filtered" } + } + withName: NANOLYSE { publishDir = [ [ @@ -220,6 +243,26 @@ process { ext.prefix = { "${meta.id}_run${meta.run}_lambdafiltered" } } + withName: CHOPPER { + ext.args2 = [ + "--contam ${params.lambda_reference}" + ].join(' ').trim() + publishDir = [ + [ + path: { "${params.outdir}/QC_longreads/Chopper" }, + mode: params.publish_dir_mode, + pattern: "*.log" + ], + [ + path: { "${params.outdir}/QC_longreads/Chopper" }, + mode: params.publish_dir_mode, + pattern: "*_chopper.fastq.gz", + enabled: params.save_lambdaremoved_reads + ] + ] + ext.prefix = { "${meta.id}_run${meta.run}_chopper" } + } + withName: NANOPLOT_RAW { ext.prefix = 'raw' ext.args = { diff --git a/nextflow.config b/nextflow.config index b6d281d0..822656b3 100644 --- a/nextflow.config +++ b/nextflow.config @@ -28,7 +28,9 @@ params { adapterremoval_trim_quality_stretch = false keep_phix = false // long read preprocessing options - longread_adaptertrimming_tool = "porechop_abi" + longread_adaptertrimming_tool = "porechop_abi" + longread_phageremoval_tool = "chopper" + longread_filtering_tool = "filtlong" // phix_reference = "ftp://ftp.ncbi.nlm.nih.gov/genomes/genbank/viral/Enterobacteria_phage_phiX174_sensu_lato/all_assembly_versions/GCA_002596845.1_ASM259684v1/GCA_002596845.1_ASM259684v1_genomic.fna.gz" phix_reference = "${baseDir}/assets/data/GCA_002596845.1_ASM259684v1_genomic.fna.gz" save_phixremoved_reads = false @@ -102,6 +104,7 @@ params { // long read preprocessing options skip_adapter_trimming = false keep_lambda = false + longreads_min_quality = null longreads_min_length = 1000 longreads_keep_percent = 90 longreads_length_weight = 10 @@ -109,7 +112,7 @@ params { lambda_reference = "${baseDir}/assets/data/GCA_000840245.1_ViralProj14204_genomic.fna.gz" save_lambdaremoved_reads = false save_porechop_reads = false - save_filtlong_reads = false + save_filtered_reads = false // binning options skip_metabat2 = false diff --git a/nextflow_schema.json b/nextflow_schema.json index b4809d15..6f81582e 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -453,6 +453,11 @@ "default": 1000, "description": "Discard any read which is shorter than this value." }, + "longreads_min_quality": { + "type": "integer", + "default": null, + "description": "Discard any read which has a mean quality score lower than this value." + }, "longreads_keep_percent": { "type": "integer", "default": 90, @@ -482,7 +487,7 @@ "type": "boolean", "description": "Specify to save the resulting clipped FASTQ files to --outdir." }, - "save_filtlong_reads": { + "save_filtered_reads": { "type": "boolean", "description": "Specify to save the resulting length filtered FASTQ files to --outdir." }, @@ -491,6 +496,18 @@ "description": "Specify which long read adapter trimming tool to use.", "enum": ["porechop", "porechop_abi"], "default": "porechop_abi" + }, + "longread_phageremoval_tool": { + "type": "string", + "description": "Specify which long read phage removal tool to use.", + "enum": ["nanolyse", "chopper"], + "default": "chopper" + }, + "longread_filtering_tool": { + "type": "string", + "description": "Specify which long read filtering tool to use.", + "enum": ["filtlong", "nanoq"], + "default": "filtlong" } } }, diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf index 76c0fa45..9e4cc0c1 100644 --- a/subworkflows/local/longread_preprocessing.nf +++ b/subworkflows/local/longread_preprocessing.nf @@ -71,16 +71,16 @@ workflow LONGREAD_PREPROCESSING { } - // join long and short reads by sample name - ch_short_reads_tmp = ch_short_reads - .map { meta, sr -> [ meta.id, meta, sr ] } + if (params.longread_filtering_tool == 'filtlong') { + // join long and short reads by sample name + ch_short_reads_tmp = ch_short_reads + .map { meta, sr -> [ meta.id, meta, sr ] } - ch_short_and_long_reads = ch_long_reads - .map { meta, lr -> [ meta.id, meta, lr ] } - .join(ch_short_reads_tmp, by: 0) - .map { id, meta_lr, lr, meta_sr, sr -> [ meta_lr, sr, lr ] } // should not occur for single-end, since SPAdes (hybrid) does not support single-end + ch_short_and_long_reads = ch_long_reads + .map { meta, lr -> [ meta.id, meta, lr ] } + .join(ch_short_reads_tmp, by: 0) + .map { id, meta_lr, lr, meta_sr, sr -> [ meta_lr, sr, lr ] } // should not occur for single-end, since SPAdes (hybrid) does not support single-end - if (params.longread_filtering_tool == 'filtlong') { FILTLONG ( ch_short_and_long_reads ) @@ -89,10 +89,12 @@ workflow LONGREAD_PREPROCESSING { ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log ) } else if (params.longread_filtering_tool == 'nanoq') { NANOQ ( - ch_long_reads + ch_long_reads, + 'fastq.gz' ) ch_long_reads = NANOQ.out.reads ch_versions = ch_versions.mix(NANOQ.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(NANOQ.out.stats) } NANOPLOT_FILTERED ( From 9bc8156ac712b2631c720a24465e252f06320795 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Tue, 15 Oct 2024 10:35:37 +0200 Subject: [PATCH 04/87] Make it possible to use chopper as filtering tool as well --- conf/modules.config | 4 ++- nextflow.config | 1 - nextflow_schema.json | 8 +----- subworkflows/local/longread_preprocessing.nf | 29 +++++++++----------- 4 files changed, 17 insertions(+), 25 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index c3fb6a44..0adc8846 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -245,7 +245,9 @@ process { withName: CHOPPER { ext.args2 = [ - "--contam ${params.lambda_reference}" + !params.keep_lambda ? "--contam ${params.lambda_reference}": "", + params.longreads_min_quality ? "--quality ${params.longreads_min_quality}": "", + params.longreads_min_length ? "--minlength ${params.longreads_min_length}": "", ].join(' ').trim() publishDir = [ [ diff --git a/nextflow.config b/nextflow.config index 822656b3..f8bf1a4e 100644 --- a/nextflow.config +++ b/nextflow.config @@ -29,7 +29,6 @@ params { keep_phix = false // long read preprocessing options longread_adaptertrimming_tool = "porechop_abi" - longread_phageremoval_tool = "chopper" longread_filtering_tool = "filtlong" // phix_reference = "ftp://ftp.ncbi.nlm.nih.gov/genomes/genbank/viral/Enterobacteria_phage_phiX174_sensu_lato/all_assembly_versions/GCA_002596845.1_ASM259684v1/GCA_002596845.1_ASM259684v1_genomic.fna.gz" phix_reference = "${baseDir}/assets/data/GCA_002596845.1_ASM259684v1_genomic.fna.gz" diff --git a/nextflow_schema.json b/nextflow_schema.json index 6f81582e..38faad2f 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -497,16 +497,10 @@ "enum": ["porechop", "porechop_abi"], "default": "porechop_abi" }, - "longread_phageremoval_tool": { - "type": "string", - "description": "Specify which long read phage removal tool to use.", - "enum": ["nanolyse", "chopper"], - "default": "chopper" - }, "longread_filtering_tool": { "type": "string", "description": "Specify which long read filtering tool to use.", - "enum": ["filtlong", "nanoq"], + "enum": ["filtlong", "nanoq", "chopper"], "default": "filtlong" } } diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf index 9e4cc0c1..76865c25 100644 --- a/subworkflows/local/longread_preprocessing.nf +++ b/subworkflows/local/longread_preprocessing.nf @@ -53,22 +53,13 @@ workflow LONGREAD_PREPROCESSING { } } - if (!params.keep_lambda) { - if (params.longread_phageremoval_tool == 'chopper') { - CHOPPER ( - ch_long_reads - ) - ch_long_reads = CHOPPER.out.fastq - ch_versions = ch_versions.mix(CHOPPER.out.versions.first()) - } else if (params.longread_phageremoval_tool == 'nanolyse') { - NANOLYSE ( - ch_long_reads, - ch_nanolyse_db - ) - ch_long_reads = NANOLYSE.out.fastq - ch_versions = ch_versions.mix(NANOLYSE.out.versions.first()) - } - + if (!params.keep_lambda && params.longread_filtering_tool != 'chopper') { + NANOLYSE ( + ch_long_reads, + ch_nanolyse_db + ) + ch_long_reads = NANOLYSE.out.fastq + ch_versions = ch_versions.mix(NANOLYSE.out.versions.first()) } if (params.longread_filtering_tool == 'filtlong') { @@ -95,6 +86,12 @@ workflow LONGREAD_PREPROCESSING { ch_long_reads = NANOQ.out.reads ch_versions = ch_versions.mix(NANOQ.out.versions.first()) ch_multiqc_files = ch_multiqc_files.mix(NANOQ.out.stats) + } else if (params.longread_filtering_tool == 'chopper') { + CHOPPER ( + ch_long_reads + ) + ch_long_reads = CHOPPER.out.fastq + ch_versions = ch_versions.mix(CHOPPER.out.versions.first()) } NANOPLOT_FILTERED ( From 53864d2260b382a9f5fad35c7c68c0d7e487db11 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Sun, 27 Oct 2024 18:17:53 -0300 Subject: [PATCH 05/87] feat: Migrate from CheckM to CheckM2 - Update modules - Update integration in mag and with other tools (bin_summary, gtdb-tk) - Update test - Update schema --- .github/workflows/ci.yml | 18 ++-- bin/combine_tables.py | 85 ++++++------------- conf/base.config | 6 +- conf/modules.config | 29 ++++--- modules.json | 14 +-- modules/local/bin_summary.nf | 6 +- modules/local/combine_tsv.nf | 2 +- modules/nf-core/aria2/aria2.diff | 24 ------ modules/nf-core/aria2/main.nf | 41 --------- modules/nf-core/aria2/meta.yml | 30 ------- modules/nf-core/checkm/lineagewf/main.nf | 47 ---------- modules/nf-core/checkm/lineagewf/meta.yml | 65 -------------- modules/nf-core/checkm/qa/main.nf | 44 ---------- modules/nf-core/checkm/qa/meta.yml | 67 --------------- .../checkm2/databasedownload/environment.yml | 5 ++ .../nf-core/checkm2/databasedownload/main.nf | 55 ++++++++++++ .../nf-core/checkm2/databasedownload/meta.yml | 42 +++++++++ .../databasedownload/tests/main.nf.test | 30 +++++++ .../databasedownload/tests/main.nf.test.snap | 10 +++ .../checkm2/databasedownload/tests/tags.yml | 2 + .../nf-core/checkm2/predict/environment.yml | 5 ++ modules/nf-core/checkm2/predict/main.nf | 52 ++++++++++++ modules/nf-core/checkm2/predict/meta.yml | 65 ++++++++++++++ .../checkm2/predict/tests/main.nf.test | 46 ++++++++++ .../checkm2/predict/tests/main.nf.test.snap | 18 ++++ .../nf-core/checkm2/predict/tests/tags.yml | 3 + nextflow.config | 6 +- nextflow_schema.json | 26 +++--- subworkflows/local/checkm2_qc.nf | 25 ++++++ subworkflows/local/checkm_qc.nf | 44 ---------- subworkflows/local/gtdbtk.nf | 8 +- workflows/mag.nf | 47 +++++----- 32 files changed, 463 insertions(+), 504 deletions(-) delete mode 100644 modules/nf-core/aria2/aria2.diff delete mode 100644 modules/nf-core/aria2/main.nf delete mode 100644 modules/nf-core/aria2/meta.yml delete mode 100644 modules/nf-core/checkm/lineagewf/main.nf delete mode 100644 modules/nf-core/checkm/lineagewf/meta.yml delete mode 100644 modules/nf-core/checkm/qa/main.nf delete mode 100644 modules/nf-core/checkm/qa/meta.yml create mode 100644 modules/nf-core/checkm2/databasedownload/environment.yml create mode 100644 modules/nf-core/checkm2/databasedownload/main.nf create mode 100644 modules/nf-core/checkm2/databasedownload/meta.yml create mode 100644 modules/nf-core/checkm2/databasedownload/tests/main.nf.test create mode 100644 modules/nf-core/checkm2/databasedownload/tests/main.nf.test.snap create mode 100644 modules/nf-core/checkm2/databasedownload/tests/tags.yml create mode 100644 modules/nf-core/checkm2/predict/environment.yml create mode 100644 modules/nf-core/checkm2/predict/main.nf create mode 100644 modules/nf-core/checkm2/predict/meta.yml create mode 100644 modules/nf-core/checkm2/predict/tests/main.nf.test create mode 100644 modules/nf-core/checkm2/predict/tests/main.nf.test.snap create mode 100644 modules/nf-core/checkm2/predict/tests/tags.yml create mode 100644 subworkflows/local/checkm2_qc.nf delete mode 100644 subworkflows/local/checkm_qc.nf diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index d2fa6e12..98fb0acd 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -131,8 +131,8 @@ jobs: run: | nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.test_name }},docker --outdir ./results - checkm: - name: Run single test to checkm due to database download + checkm2: + name: Run single test to checkm2 due to database download # Only run on push if this is the nf-core dev branch (merged PRs) if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/mag') }} runs-on: ubuntu-latest @@ -154,12 +154,16 @@ jobs: - name: Clean up Disk space uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - name: Download and prepare CheckM database + - name: Download and prepare CheckM2 database run: | - mkdir -p databases/checkm - wget https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz -P databases/checkm - tar xzvf databases/checkm/checkm_data_2015_01_16.tar.gz -C databases/checkm/ + mkdir -p databases/checkm2 + wget https://zenodo.org/records/5571251/files/checkm2_database.tar.gz -P databases/checkm2 + tar xzvf databases/checkm2/checkm2_database.tar.gz -C databases/checkm2/ - name: Run pipeline with ${{ matrix.profile }} test profile run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results --binqc_tool checkm --checkm_db databases/checkm + nextflow run ${GITHUB_WORKSPACE} \ + -profile test,docker \ + --outdir ./results \ + --binqc_tool checkm2 \ + --checkm2_db databases/checkm2/CheckM2_database/uniref100.KO.1.dmnd diff --git a/bin/combine_tables.py b/bin/combine_tables.py index a2dcf986..769b24d4 100755 --- a/bin/combine_tables.py +++ b/bin/combine_tables.py @@ -3,10 +3,9 @@ ## Originally written by Daniel Straub and Sabrina Krakau and released under the MIT license. ## See git repository (https://github.com/nf-core/mag) for full license text. - -import sys import argparse -import os.path +import sys + import pandas as pd @@ -19,18 +18,10 @@ def parse_args(args=None): metavar="FILE", help="Bin depths summary file.", ) - parser.add_argument( - "-b", "--busco_summary", metavar="FILE", help="BUSCO summary file." - ) - parser.add_argument( - "-c", "--checkm_summary", metavar="FILE", help="CheckM summary file." - ) - parser.add_argument( - "-q", "--quast_summary", metavar="FILE", help="QUAST BINS summary file." - ) - parser.add_argument( - "-g", "--gtdbtk_summary", metavar="FILE", help="GTDB-Tk summary file." - ) + parser.add_argument("-b", "--busco_summary", metavar="FILE", help="BUSCO summary file.") + parser.add_argument("-c", "--checkm2_summary", metavar="FILE", help="CheckM2 summary file.") + parser.add_argument("-q", "--quast_summary", metavar="FILE", help="QUAST BINS summary file.") + parser.add_argument("-g", "--gtdbtk_summary", metavar="FILE", help="GTDB-Tk summary file.") parser.add_argument("-a", "--cat_summary", metavar="FILE", help="CAT table file.") parser.add_argument( "-o", @@ -81,9 +72,7 @@ def parse_cat_table(cat_table): ) # merge all rank columns into a single column df["CAT_rank"] = ( - df.filter(regex="rank_\d+") - .apply(lambda x: ";".join(x.dropna()), axis=1) - .str.lstrip() + df.filter(regex="rank_\d+").apply(lambda x: ";".join(x.dropna()), axis=1).str.lstrip() ) # remove rank_* columns df.drop(df.filter(regex="rank_\d+").columns, axis=1, inplace=True) @@ -96,73 +85,53 @@ def main(args=None): if ( not args.busco_summary - and not args.checkm_summary + and not args.checkm2_summary and not args.quast_summary and not args.gtdbtk_summary ): - sys.exit( - "No summary specified! Please specify at least BUSCO, CheckM or QUAST summary." - ) + sys.exit("No summary specified! Please specify at least BUSCO, CheckM2 or QUAST summary.") - # GTDB-Tk can only be run in combination with BUSCO or CheckM - if args.gtdbtk_summary and not (args.busco_summary or args.checkm_summary): + # GTDB-Tk can only be run in combination with BUSCO or CheckM2 + if args.gtdbtk_summary and not (args.busco_summary or args.checkm2_summary): sys.exit( - "Invalid parameter combination: GTDB-TK summary specified, but no BUSCO or CheckM summary!" + "Invalid parameter combination: GTDB-TK summary specified, but no BUSCO or CheckM2 summary!" ) # handle bin depths results = pd.read_csv(args.depths_summary, sep="\t") - results.columns = [ - "Depth " + str(col) if col != "bin" else col for col in results.columns - ] + results.columns = ["Depth " + str(col) if col != "bin" else col for col in results.columns] bins = results["bin"].sort_values().reset_index(drop=True) if args.busco_summary: busco_results = pd.read_csv(args.busco_summary, sep="\t") - if not bins.equals( - busco_results["GenomeBin"].sort_values().reset_index(drop=True) - ): + if not bins.equals(busco_results["GenomeBin"].sort_values().reset_index(drop=True)): sys.exit("Bins in BUSCO summary do not match bins in bin depths summary!") results = pd.merge( results, busco_results, left_on="bin", right_on="GenomeBin", how="outer" ) # assuming depths for all bins are given - if args.checkm_summary: + if args.checkm2_summary: use_columns = [ - "Bin Id", - "Marker lineage", - "# genomes", - "# markers", - "# marker sets", + "Name", "Completeness", "Contamination", - "Strain heterogeneity", - "Coding density", - "Translation table", - "# predicted genes", - "0", - "1", - "2", - "3", - "4", - "5+", + "Completeness_Model_Used", + "Coding_Density", + "Translation_Table_Used", + "Total_Coding_Sequences", ] - checkm_results = pd.read_csv(args.checkm_summary, usecols=use_columns, sep="\t") - checkm_results["Bin Id"] = checkm_results["Bin Id"] + ".fa" - if not bins.equals( - checkm_results["Bin Id"].sort_values().reset_index(drop=True) - ): - sys.exit("Bins in CheckM summary do not match bins in bin depths summary!") + checkm2_results = pd.read_csv(args.checkm2_summary, usecols=use_columns, sep="\t") + checkm2_results["Name"] = checkm2_results["Name"] + ".fa" + if not set(checkm2_results["Name"]).issubset(set(bins)): + sys.exit("Bins in CheckM2 summary do not match bins in bin depths summary!") results = pd.merge( - results, checkm_results, left_on="bin", right_on="Bin Id", how="outer" + results, checkm2_results, left_on="bin", right_on="Name", how="outer" ) # assuming depths for all bins are given - results["Bin Id"] = results["Bin Id"].str.removesuffix(".fa") + results["Name"] = results["Name"].str.removesuffix(".fa") if args.quast_summary: quast_results = pd.read_csv(args.quast_summary, sep="\t") - if not bins.equals( - quast_results["Assembly"].sort_values().reset_index(drop=True) - ): + if not bins.equals(quast_results["Assembly"].sort_values().reset_index(drop=True)): sys.exit("Bins in QUAST summary do not match bins in bin depths summary!") results = pd.merge( results, quast_results, left_on="bin", right_on="Assembly", how="outer" diff --git a/conf/base.config b/conf/base.config index 21a8ac3e..9be49eaa 100644 --- a/conf/base.config +++ b/conf/base.config @@ -160,12 +160,14 @@ process { cpus = { 8 * task.attempt } memory = { 20.GB * task.attempt } } - withName: MAXBIN2 { errorStrategy = { task.exitStatus in [1, 255] ? 'ignore' : 'retry' } } - withName: DASTOOL_DASTOOL { errorStrategy = { task.exitStatus in ((130..145) + 104) ? 'retry' : task.exitStatus == 1 ? 'ignore' : 'finish' } } + //CheckM2 returns exit code 1 when Diamond doesn't find any hits + withName: CHECKM2_PREDICT { + errorStrategy = { task.exitStatus in (130..145) ? 'retry' : task.exitStatus == 1 ? 'ignore' : 'finish' } + } } diff --git a/conf/modules.config b/conf/modules.config index 0fbea292..dca9ea21 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -344,29 +344,30 @@ process { publishDir = [path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - withName: ARIA2_UNTAR { - publishDir = [path: { "${params.outdir}/GenomeBinning/QC/CheckM/checkm_downloads" }, mode: params.publish_dir_mode, overwrite: false, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.save_checkm_data] - } - - withName: CHECKM_LINEAGEWF { - tag = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}" } - ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}_wf" } - publishDir = [path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] + withName: CHECKM2_DATABASEDOWNLOAD { + publishDir = [ + path: { "${params.outdir}/GenomeBinning/QC/CheckM2/checkm2_downloads" }, + mode: params.publish_dir_mode, overwrite: false, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.save_checkm2_data + ] } - withName: CHECKM_QA { - ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}_qa" } - ext.args = "-o 2 --tab_table" + withName: CHECKM2_PREDICT { + ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}" } publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, + path: { "${params.outdir}/GenomeBinning/QC/CheckM2" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename } ] } - withName: COMBINE_CHECKM_TSV { + withName: COMBINE_CHECKM2_TSV { ext.prefix = { "checkm_summary" } - publishDir = [path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] + publishDir = [ + path: { "${params.outdir}/GenomeBinning/QC" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename } + ] } withName: GUNC_DOWNLOADDB { diff --git a/modules.json b/modules.json index 3eea27cd..ae36414f 100644 --- a/modules.json +++ b/modules.json @@ -10,12 +10,6 @@ "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, - "aria2": { - "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"], - "patch": "modules/nf-core/aria2/aria2.diff" - }, "bbmap/bbnorm": { "branch": "master", "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", @@ -52,14 +46,14 @@ "installed_by": ["modules"], "patch": "modules/nf-core/centrifuge/kreport/centrifuge-kreport.diff" }, - "checkm/lineagewf": { + "checkm2/databasedownload": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "e17652681c856afaf2e240ba4c98bf4631a0fe2d", "installed_by": ["modules"] }, - "checkm/qa": { + "checkm2/predict": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "e17652681c856afaf2e240ba4c98bf4631a0fe2d", "installed_by": ["modules"] }, "concoct/concoct": { diff --git a/modules/local/bin_summary.nf b/modules/local/bin_summary.nf index b387174c..31224442 100644 --- a/modules/local/bin_summary.nf +++ b/modules/local/bin_summary.nf @@ -8,7 +8,7 @@ process BIN_SUMMARY { input: path(bin_depths) path(busco_sum) - path(checkm_sum) + path(checkm2_sum) path(quast_sum) path(gtdbtk_sum) path(cat_sum) @@ -19,14 +19,14 @@ process BIN_SUMMARY { script: def busco_summary = busco_sum.sort().size() > 0 ? "--busco_summary ${busco_sum}" : "" - def checkm_summary = checkm_sum.sort().size() > 0 ? "--checkm_summary ${checkm_sum}" : "" + def checkm2_summary = checkm2_sum.sort().size() > 0 ? "--checkm2_summary ${checkm2_sum}" : "" def quast_summary = quast_sum.sort().size() > 0 ? "--quast_summary ${quast_sum}" : "" def gtdbtk_summary = gtdbtk_sum.sort().size() > 0 ? "--gtdbtk_summary ${gtdbtk_sum}" : "" def cat_summary = cat_sum.sort().size() > 0 ? "--cat_summary ${cat_sum}" : "" """ combine_tables.py --depths_summary ${bin_depths} \ $busco_summary \ - $checkm_summary \ + $checkm2_summary \ $quast_summary \ $gtdbtk_summary \ $cat_summary \ diff --git a/modules/local/combine_tsv.nf b/modules/local/combine_tsv.nf index 5e62be27..1fe7ec1a 100644 --- a/modules/local/combine_tsv.nf +++ b/modules/local/combine_tsv.nf @@ -7,7 +7,7 @@ process COMBINE_TSV { 'biocontainers/bioawk:1.0--hed695b0_5' }" input: - path(bin_summaries) + path(bin_summaries, stageAs: "bin_summaries/*.tsv") output: path("*.tsv") , emit: combined diff --git a/modules/nf-core/aria2/aria2.diff b/modules/nf-core/aria2/aria2.diff deleted file mode 100644 index 789fdb44..00000000 --- a/modules/nf-core/aria2/aria2.diff +++ /dev/null @@ -1,24 +0,0 @@ -Changes in module 'nf-core/aria2' ---- modules/nf-core/aria2/main.nf -+++ modules/nf-core/aria2/main.nf -@@ -12,7 +12,7 @@ - val source_url - - output: -- path ("$downloaded_file"), emit: downloaded_file -+ path ("checkm_data_2015_01_16/"), emit: downloaded_file - path "versions.yml" , emit: versions - - when: -@@ -30,6 +30,9 @@ - $args \\ - $source_url - -+ mkdir checkm_data_2015_01_16/ -+ tar x -C checkm_data_2015_01_16 -v -z -f *.tar.gz -+ - cat <<-END_VERSIONS > versions.yml - "${task.process}": - aria2: \$(echo \$(aria2c --version 2>&1) | grep 'aria2 version' | cut -f3 -d ' ') - -************************************************************ diff --git a/modules/nf-core/aria2/main.nf b/modules/nf-core/aria2/main.nf deleted file mode 100644 index b6091dad..00000000 --- a/modules/nf-core/aria2/main.nf +++ /dev/null @@ -1,41 +0,0 @@ - -process ARIA2 { - tag "$source_url" - label 'process_single' - - conda "conda-forge::aria2=1.36.0" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/aria2:1.36.0' : - 'biocontainers/aria2:1.36.0' }" - - input: - val source_url - - output: - path ("checkm_data_2015_01_16/"), emit: downloaded_file - path "versions.yml" , emit: versions - - when: - task.ext.when == null || task.ext.when - - script: - def args = task.ext.args ?: '' - downloaded_file = source_url.split("/")[-1] - - """ - set -e - - aria2c \\ - --check-certificate=false \\ - $args \\ - $source_url - - mkdir checkm_data_2015_01_16/ - tar x -C checkm_data_2015_01_16 -v -z -f *.tar.gz - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - aria2: \$(echo \$(aria2c --version 2>&1) | grep 'aria2 version' | cut -f3 -d ' ') - END_VERSIONS - """ -} diff --git a/modules/nf-core/aria2/meta.yml b/modules/nf-core/aria2/meta.yml deleted file mode 100644 index 64c2a524..00000000 --- a/modules/nf-core/aria2/meta.yml +++ /dev/null @@ -1,30 +0,0 @@ -name: "aria2" -description: CLI Download utility -keywords: - - download -tools: - - "aria2": - description: "aria2 is a lightweight multi-protocol & multi-source, cross platform download utility operated in command-line. It supports HTTP/HTTPS, FTP, SFTP, BitTorrent and Metalink." - - tool_dev_url: "https://github.com/aria2/aria2/" - - licence: "['GPL v2']" - -input: - - source_url: - type: url - description: Source URL to be downloaded - pattern: "{http,https}*" - -output: - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - - downloaded_file: - type: file - description: Downloaded files from source - pattern: "*.*" - -authors: - - "@JoseEspinosa" diff --git a/modules/nf-core/checkm/lineagewf/main.nf b/modules/nf-core/checkm/lineagewf/main.nf deleted file mode 100644 index d8674ddc..00000000 --- a/modules/nf-core/checkm/lineagewf/main.nf +++ /dev/null @@ -1,47 +0,0 @@ -process CHECKM_LINEAGEWF { - tag "$meta.id" - label 'process_medium' - - conda "bioconda::checkm-genome=1.2.1" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.1--pyhdfd78af_0' : - 'biocontainers/checkm-genome:1.2.1--pyhdfd78af_0' }" - - input: - tuple val(meta), path(fasta, stageAs: "input_bins/*") - val fasta_ext - path db - - output: - tuple val(meta), path("${prefix}") , emit: checkm_output - tuple val(meta), path("${prefix}/lineage.ms"), emit: marker_file - tuple val(meta), path("${prefix}.tsv") , emit: checkm_tsv - path "versions.yml" , emit: versions - - when: - task.ext.when == null || task.ext.when - - script: - def args = task.ext.args ?: '' - prefix = task.ext.prefix ?: "${meta.id}" - checkm_db = db ? "export CHECKM_DATA_PATH=${db}" : "" - """ - $checkm_db - - checkm \\ - lineage_wf \\ - -t $task.cpus \\ - -f ${prefix}.tsv \\ - --tab_table \\ - --pplacer_threads $task.cpus \\ - -x $fasta_ext \\ - $args \\ - input_bins/ \\ - $prefix - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) - END_VERSIONS - """ -} diff --git a/modules/nf-core/checkm/lineagewf/meta.yml b/modules/nf-core/checkm/lineagewf/meta.yml deleted file mode 100644 index 4716a3e9..00000000 --- a/modules/nf-core/checkm/lineagewf/meta.yml +++ /dev/null @@ -1,65 +0,0 @@ -name: checkm_lineagewf -description: CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. -keywords: - - checkm - - mag - - metagenome - - quality - - isolates - - microbes - - single cells - - completeness - - contamination - - bins - - genome bins -tools: - - checkm: - description: Assess the quality of microbial genomes recovered from isolates, single cells, and metagenomes. - homepage: https://ecogenomics.github.io/CheckM/ - documentation: https://github.com/Ecogenomics/CheckM/wiki - tool_dev_url: https://github.com/Ecogenomics/CheckM - doi: "10.1101/gr.186072.114" - licence: ["GPL v3"] - -input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - fasta: - type: file - description: One or a list of multiple FASTA files of each bin, with extension defined with the fasta_ext value - pattern: "*.{$fasta_ext}" - - fasta_ext: - type: value - description: The file-type extension suffix of the input FASTA files (e.g., fasta, fna, fa, fas) - - db: - type: directory - description: Optional directory pointing to checkM database to prevent re-downloading - -output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'sample', bin:'1' ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - - checkm_output: - type: directory - description: CheckM output directory - pattern: "*/" - - checkm_output: - type: file - description: Lineage markfer file - pattern: "lineage.ms" - - checkm_tsv: - type: file - description: CheckM summary completeness statistics table - pattern: "*.tsv" - -authors: - - "@jfy133" diff --git a/modules/nf-core/checkm/qa/main.nf b/modules/nf-core/checkm/qa/main.nf deleted file mode 100644 index b0c0e69a..00000000 --- a/modules/nf-core/checkm/qa/main.nf +++ /dev/null @@ -1,44 +0,0 @@ -process CHECKM_QA { - tag "$meta.id" - label 'process_low' - - conda "bioconda::checkm-genome=1.2.1" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.1--pyhdfd78af_0' : - 'biocontainers/checkm-genome:1.2.1--pyhdfd78af_0' }" - - input: - tuple val(meta), path(analysis_dir), path(marker_file), path(coverage_file) - path exclude_marker_file - - output: - tuple val(meta), path("${prefix}.txt") , optional: true, emit: output - tuple val(meta), path("${prefix}.fasta"), optional: true, emit: fasta - path "versions.yml" , emit: versions - - when: - task.ext.when == null || task.ext.when - - script: - def args = task.ext.args ?: '' - prefix = task.ext.prefix ?: "${meta.id}" - suffix = task.ext.args?.matches(".*-o 9.*|.*--out_file 9.*") ? "fasta" : "txt" - def coverage = coverage_file ? "--coverage_file ${coverage_file}" : "" - def exclude = exclude_marker_file ? "--exclude_markers ${marker_filer}" : "" - """ - checkm \\ - qa \\ - --threads ${task.cpus} \\ - --file ${prefix}.${suffix} \\ - $marker_file \\ - $analysis_dir \\ - $coverage \\ - $exclude \\ - $args - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) - END_VERSIONS - """ -} diff --git a/modules/nf-core/checkm/qa/meta.yml b/modules/nf-core/checkm/qa/meta.yml deleted file mode 100644 index d0af39af..00000000 --- a/modules/nf-core/checkm/qa/meta.yml +++ /dev/null @@ -1,67 +0,0 @@ -name: checkm_qa -description: CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. -keywords: - - checkm - - mag - - metagenome - - quality - - isolates - - microbes - - single cells - - completeness - - contamination - - bins - - genome bins - - qa - - quality assurnce -tools: - - checkm: - description: Assess the quality of microbial genomes recovered from isolates, single cells, and metagenomes. - homepage: https://ecogenomics.github.io/CheckM/ - documentation: https://github.com/Ecogenomics/CheckM/wiki - tool_dev_url: https://github.com/Ecogenomics/CheckM - doi: "10.1101/gr.186072.114" - licence: ["GPL v3"] - -input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - analysis_dir: - type: file - description: Directory containing output of checkm/analyze or checkm/lineage_wf etc. - pattern: "*" - - marker_file: - type: file - description: Marker file specified during checkm/analyze or produced by checkm/{lineage,taxonomy}_wf - pattern: "*.ms" - - coverage_file: - type: file - description: File containing coverage of each sequence (generated by checkm coverage) - - exclude_marker_file: - type: file - description: File specifying markers to exclude from marker sets - -output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - - output: - type: file - description: "Default completeness statistics in various formats, as specified with --out_format (excluding option: 9)" - pattern: "*.txt" - - fasta: - type: file - description: Output in fasta format (only if --out_format 9) - pattern: "*.fasta" - -authors: - - "@jfy133" diff --git a/modules/nf-core/checkm2/databasedownload/environment.yml b/modules/nf-core/checkm2/databasedownload/environment.yml new file mode 100644 index 00000000..52d11ba9 --- /dev/null +++ b/modules/nf-core/checkm2/databasedownload/environment.yml @@ -0,0 +1,5 @@ +channels: + - conda-forge + - bioconda +dependencies: + - conda-forge::aria2=1.36.0 diff --git a/modules/nf-core/checkm2/databasedownload/main.nf b/modules/nf-core/checkm2/databasedownload/main.nf new file mode 100644 index 00000000..6144067b --- /dev/null +++ b/modules/nf-core/checkm2/databasedownload/main.nf @@ -0,0 +1,55 @@ +import groovy.json.JsonSlurper + +process CHECKM2_DATABASEDOWNLOAD { + label 'process_single' + + conda "${moduleDir}/environment.yml" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/aria2:1.36.0': + 'biocontainers/aria2:1.36.0' }" + + input: + val(db_zenodo_id) + + output: + tuple val(meta), path("checkm2_db_v${db_version}.dmnd"), emit: database + path("versions.yml") , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + zenodo_id = db_zenodo_id ?: 5571251 // Default to latest version if no ID provided + api_data = (new JsonSlurper()).parseText(file("https://zenodo.org/api/records/${zenodo_id}").text) + db_version = api_data.metadata.version + checksum = api_data.files[0].checksum.replaceFirst(/^md5:/, "md5=") + meta = [id: 'checkm2_db', version: db_version] + """ + # Automatic download is broken when using singularity/apptainer (https://github.com/chklovski/CheckM2/issues/73) + # So it's necessary to download the database manually + aria2c \ + ${args} \ + --checksum ${checksum} \ + https://zenodo.org/records/${zenodo_id}/files/checkm2_database.tar.gz + + tar -xzf checkm2_database.tar.gz + db_path=\$(find -name *.dmnd) + mv \$db_path checkm2_db_v${db_version}.dmnd + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + aria2: \$(echo \$(aria2c --version 2>&1) | grep 'aria2 version' | cut -f3 -d ' ') + END_VERSIONS + """ + + stub: + """ + touch checkm_db.dmnd + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + checkm2: \$(checkm2 --version) + END_VERSIONS + """ +} diff --git a/modules/nf-core/checkm2/databasedownload/meta.yml b/modules/nf-core/checkm2/databasedownload/meta.yml new file mode 100644 index 00000000..632b4922 --- /dev/null +++ b/modules/nf-core/checkm2/databasedownload/meta.yml @@ -0,0 +1,42 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/yaml-schema.json +name: "checkm2_databasedownload" +description: CheckM2 database download +keywords: + - checkm + - mag + - metagenome + - quality + - completeness + - contamination + - bins +tools: + - "checkm2": + description: "CheckM2 - Rapid assessment of genome bin quality using machine learning" + homepage: "https://github.com/chklovski/CheckM2" + doi: "10.1038/s41592-023-01940-w" + licence: ["GPL v3"] + identifier: "" + +input: + - - db_zenodo_id: + type: integer + description: Zenodo ID of the CheckM2 database to download + +output: + - database: + - meta: + type: map + description: | + Groovy Map containing database information + e.g. `[ id:'test', version:1 ]` + - checkm2_db_v${db_version}.dmnd: + type: file + description: CheckM2 database file + pattern: "checkm2_db_v*.dmnd" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" +authors: + - "@dialvarezs" diff --git a/modules/nf-core/checkm2/databasedownload/tests/main.nf.test b/modules/nf-core/checkm2/databasedownload/tests/main.nf.test new file mode 100644 index 00000000..2a98f051 --- /dev/null +++ b/modules/nf-core/checkm2/databasedownload/tests/main.nf.test @@ -0,0 +1,30 @@ +nextflow_process { + + name "Test Process CHECKM2_DATABASEDOWNLOAD" + tag "modules_nfcore" + tag "modules" + tag "checkm2" + tag "checkm2/databasedownload" + script "modules/nf-core/checkm2/databasedownload/main.nf" + process "CHECKM2_DATABASEDOWNLOAD" + + test("Test CheckM2 Database Download") { + + when { + process { + """ + input[0] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.versions).match() }, + ) + } + + } + +} diff --git a/modules/nf-core/checkm2/databasedownload/tests/main.nf.test.snap b/modules/nf-core/checkm2/databasedownload/tests/main.nf.test.snap new file mode 100644 index 00000000..403d26fd --- /dev/null +++ b/modules/nf-core/checkm2/databasedownload/tests/main.nf.test.snap @@ -0,0 +1,10 @@ +{ + "Test CheckM2 Database Download": { + "content": [ + [ + "versions.yml:md5,6201d5ac7aca6e32b98daf4f8656aa2a" + ] + ], + "timestamp": "2024-09-16T22:23:54.183040031" + } +} \ No newline at end of file diff --git a/modules/nf-core/checkm2/databasedownload/tests/tags.yml b/modules/nf-core/checkm2/databasedownload/tests/tags.yml new file mode 100644 index 00000000..46266770 --- /dev/null +++ b/modules/nf-core/checkm2/databasedownload/tests/tags.yml @@ -0,0 +1,2 @@ +checkm2/databasedownload: + - modules/nf-core/checkm2/databasedownload/** diff --git a/modules/nf-core/checkm2/predict/environment.yml b/modules/nf-core/checkm2/predict/environment.yml new file mode 100644 index 00000000..18fd1f51 --- /dev/null +++ b/modules/nf-core/checkm2/predict/environment.yml @@ -0,0 +1,5 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::checkm2=1.0.2 diff --git a/modules/nf-core/checkm2/predict/main.nf b/modules/nf-core/checkm2/predict/main.nf new file mode 100644 index 00000000..25271ba9 --- /dev/null +++ b/modules/nf-core/checkm2/predict/main.nf @@ -0,0 +1,52 @@ +process CHECKM2_PREDICT { + tag "${meta.id}" + label 'process_medium' + + conda "${moduleDir}/environment.yml" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/checkm2:1.0.2--pyh7cba7a3_0': + 'biocontainers/checkm2:1.0.2--pyh7cba7a3_0' }" + + input: + tuple val(meta), path(fasta, stageAs: "input_bins/*") + tuple val(dbmeta), path(db) + + output: + tuple val(meta), path("${prefix}") , emit: checkm2_output + tuple val(meta), path("${prefix}/quality_report.tsv"), emit: checkm2_tsv + path("versions.yml") , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + prefix = task.ext.prefix ?: "${meta.id}" + """ + checkm2 \\ + predict \\ + --input ${fasta} \\ + --output-directory ${prefix} \\ + --threads ${task.cpus} \\ + --database_path ${db} \\ + ${args} + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + checkm2: \$(checkm2 --version) + END_VERSIONS + """ + + stub: + def args = task.ext.args ?: '' + prefix = task.ext.prefix ?: "${meta.id}" + """ + mkdir -p ${prefix}/diamond_output ${prefix}/protein_files + touch ${prefix}/quality_report.tsv ${prefix}/checkm2.log + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + checkm2: \$(checkm2 --version) + END_VERSIONS + """ +} diff --git a/modules/nf-core/checkm2/predict/meta.yml b/modules/nf-core/checkm2/predict/meta.yml new file mode 100644 index 00000000..48cc9fbc --- /dev/null +++ b/modules/nf-core/checkm2/predict/meta.yml @@ -0,0 +1,65 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/yaml-schema.json +name: "checkm2_predict" +description: CheckM2 bin quality prediction +keywords: + - checkm + - mag + - metagenome + - quality + - completeness + - contamination + - bins +tools: + - "checkm2": + description: "CheckM2 - Rapid assessment of genome bin quality using machine learning" + homepage: "https://github.com/chklovski/CheckM2" + doi: "10.1038/s41592-023-01940-w" + licence: ["GPL v3"] + identifier: "" + +input: + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. `[ id:'test' ]` + - fasta: + type: file + description: One or multiple FASTA files of each bin + pattern: "*.{fasta,fna,fa}" + - - dbmeta: + type: map + description: | + Groovy Map containing database information + e.g. `[ id:'test', version:1 ]` + - db: + type: file + description: CheckM2 database +output: + - checkm2_output: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. `[ id:'test' ]` + - ${prefix}: + type: directory + description: CheckM2 output directory + pattern: "${prefix}/" + - checkm2_tsv: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. `[ id:'test' ]` + - ${prefix}/quality_report.tsv: + type: file + description: CheckM2 summary completeness statistics table + pattern: "*.tsv" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" +authors: + - "@dialvarezs" diff --git a/modules/nf-core/checkm2/predict/tests/main.nf.test b/modules/nf-core/checkm2/predict/tests/main.nf.test new file mode 100644 index 00000000..e825f74c --- /dev/null +++ b/modules/nf-core/checkm2/predict/tests/main.nf.test @@ -0,0 +1,46 @@ +nextflow_process { + + name "Test Process CHECKM2_PREDICT" + tag "modules_nfcore" + tag "modules" + tag "checkm2" + tag "checkm2/predict" + tag "checkm2/databasedownload" + script "modules/nf-core/checkm2/predict/main.nf" + process "CHECKM2_PREDICT" + + test("Test CheckM2 Predict") { + + setup { + run("CHECKM2_DATABASEDOWNLOAD") { + script "../../databasedownload/main.nf" + process { + """ + input[0] = [] + """ + } + } + } + + when { + params { + outdir = "${launchDir}/tests/results" + } + process { + """ + input[0] = [ [id: 'test'], [file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', checkIfExists: true)] ] + input[1] = CHECKM2_DATABASEDOWNLOAD.out.database + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.checkm2_tsv, process.out.versions).match() } + ) + } + + } + +} diff --git a/modules/nf-core/checkm2/predict/tests/main.nf.test.snap b/modules/nf-core/checkm2/predict/tests/main.nf.test.snap new file mode 100644 index 00000000..6fd2e918 --- /dev/null +++ b/modules/nf-core/checkm2/predict/tests/main.nf.test.snap @@ -0,0 +1,18 @@ +{ + "Test CheckM2 Predict": { + "content": [ + [ + [ + { + "id": "test" + }, + "quality_report.tsv:md5,7f05ff49d18697304575d1106a871501" + ] + ], + [ + "versions.yml:md5,088ec2d8a46efd530c11019328064bff" + ] + ], + "timestamp": "2024-09-16T22:43:50.787486798" + } +} \ No newline at end of file diff --git a/modules/nf-core/checkm2/predict/tests/tags.yml b/modules/nf-core/checkm2/predict/tests/tags.yml new file mode 100644 index 00000000..c31d112a --- /dev/null +++ b/modules/nf-core/checkm2/predict/tests/tags.yml @@ -0,0 +1,3 @@ +checkm2/predict: + - modules/nf-core/checkm2/predict/** + - modules/nf-core/checkm2/databasedownload/** diff --git a/nextflow.config b/nextflow.config index 026f67d8..6a5a4d2c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -129,9 +129,9 @@ params { busco_auto_lineage_prok = false save_busco_db = false busco_clean = false - checkm_download_url = "https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz" - checkm_db = null - save_checkm_data = false + checkm2_db = null + checkm2_db_version = 5571251 + save_checkm2_data = false run_gunc = false gunc_database_type = 'progenomes' gunc_db = null diff --git a/nextflow_schema.json b/nextflow_schema.json index ceb3ac08..5b5891f8 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -715,13 +715,13 @@ "properties": { "skip_binqc": { "type": "boolean", - "description": "Disable bin QC with BUSCO or CheckM." + "description": "Disable bin QC with BUSCO or CheckM2." }, "binqc_tool": { "type": "string", "default": "busco", "description": "Specify which tool for bin quality-control validation to use.", - "enum": ["busco", "checkm"] + "enum": ["busco", "checkm2"] }, "busco_db": { "type": "string", @@ -742,22 +742,20 @@ "description": "Enable clean-up of temporary files created during BUSCO runs.", "help_text": "By default, BUSCO creates a large number of intermediate files every run. This may cause problems on some clusters which have file number limits in plate, particularly with large numbers of bins. Enabling this option cleans these files, reducing the total file count of the work directory." }, - "checkm_download_url": { + "checkm2_db": { "type": "string", - "default": "https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz", - "hidden": true, - "description": "URL pointing to checkM database for auto download, if local path not supplied.", - "help_text": "You can use this parameter to point to an online copy of the checkM database TAR archive that the pipeline will use for auto download if a local path is not supplied to `--checkm_db`." + "description": "Path to local folder containing already downloaded and uncompressed CheckM2 database (.dmnd file).", + "help_text": "The pipeline can also download this for you if not specified, and you can save the resulting directory into your output directory by specifying `--save_checkm2_data`. You should move this directory to somewhere else on your machine (and supply back to the pipeline in future runs again with `--checkm2_db`." }, - "checkm_db": { - "type": "string", - "description": "Path to local folder containing already downloaded and uncompressed CheckM database.", - "help_text": "The pipeline can also download this for you if not specified, and you can save the resulting directory into your output directory by specifying `--save_checkm_data`. You should move this directory to somewhere else on your machine (and supply back to the pipeline in future runs again with `--checkm_db`." + "checkm2_db_version": { + "type": "integer", + "default": 5571251, + "description": "CheckM2 database version number to download (Zenodo ID, for reference check https://zenodo.org/records/5571251)." }, - "save_checkm_data": { + "save_checkm2_data": { "type": "boolean", - "description": "Save the used CheckM reference files downloaded when not using --checkm_db parameter.", - "help_text": "If specified, the directories and files decompressed from the `tar.gz` file downloaded from the [CheckM FTP server](https://data.ace.uq.edu.au/public/CheckM_databases/) will be stored in your output directory alongside your CheckM results." + "description": "Save the used CheckM2 reference files downloaded when not using --checkm2_db parameter.", + "help_text": "If specified, the directories and files decompressed from the `tar.gz` file downloaded from the [Zenodo repository](https://zenodo.org/records/5571251) will be stored in your output directory alongside your CheckM2 results." }, "refine_bins_dastool": { "type": "boolean", diff --git a/subworkflows/local/checkm2_qc.nf b/subworkflows/local/checkm2_qc.nf new file mode 100644 index 00000000..39264d70 --- /dev/null +++ b/subworkflows/local/checkm2_qc.nf @@ -0,0 +1,25 @@ +/* + * CheckM2: Assessing the quality of metagenome-derived genome bins using machine learning + */ + +include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' +include { COMBINE_TSV as COMBINE_CHECKM2_TSV } from '../../modules/local/combine_tsv' + + +workflow CHECKM2_QC { + take: + bins // channel: [ val(meta), path(bin) ] + checkm2_db + + main: + ch_versions = Channel.empty() + + CHECKM2_PREDICT ( bins, checkm2_db ) + ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) + + COMBINE_CHECKM2_TSV ( CHECKM2_PREDICT.out.checkm2_tsv.map{it[1]}.collect() ) + + emit: + summary = COMBINE_CHECKM2_TSV.out.combined + versions = ch_versions +} \ No newline at end of file diff --git a/subworkflows/local/checkm_qc.nf b/subworkflows/local/checkm_qc.nf deleted file mode 100644 index 70ed9708..00000000 --- a/subworkflows/local/checkm_qc.nf +++ /dev/null @@ -1,44 +0,0 @@ -/* - * CheckM: Quantitative measures for the assessment of genome assembly - */ - -include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' -include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' -include { COMBINE_TSV as COMBINE_CHECKM_TSV } from '../../modules/local/combine_tsv' - -workflow CHECKM_QC { - take: - bins // channel: [ val(meta), path(bin) ] - checkm_db - - main: - ch_versions = Channel.empty() - - ch_input_checkmdb = checkm_db ? checkm_db : [] - ch_bins_for_checkmlineagewf = bins - .multiMap { - meta, fa -> - reads: [ meta, fa ] - ext: fa.extension.unique().join("") // we set this in the pipeline to always `.fa` so this should be fine - } - - CHECKM_LINEAGEWF ( ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db ) - ch_versions = ch_versions.mix(CHECKM_LINEAGEWF.out.versions.first()) - - ch_checkmqa_input = CHECKM_LINEAGEWF.out.checkm_output - .join(CHECKM_LINEAGEWF.out.marker_file) - .map{ - meta, dir, marker -> - [ meta, dir, marker, []] - } - - CHECKM_QA ( ch_checkmqa_input, [] ) - ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) - - COMBINE_CHECKM_TSV ( CHECKM_QA.out.output.map{it[1]}.collect() ) - - emit: - summary = COMBINE_CHECKM_TSV.out.combined - checkm_tsv = CHECKM_QA.out.output - versions = ch_versions -} diff --git a/subworkflows/local/gtdbtk.nf b/subworkflows/local/gtdbtk.nf index 6da5680d..0bc254e9 100644 --- a/subworkflows/local/gtdbtk.nf +++ b/subworkflows/local/gtdbtk.nf @@ -10,7 +10,7 @@ workflow GTDBTK { take: bins // channel: [ val(meta), [bins] ] busco_summary // channel: path - checkm_summary // channel: path + checkm2_summary // channel: path gtdb // channel: path gtdb_mash // channel: path @@ -38,13 +38,13 @@ workflow GTDBTK { [row.'GenomeBin', completeness, contamination] } } else { - // Collect completeness and contamination metrics from checkm summary - ch_bin_metrics = checkm_summary + // Collect completeness and contamination metrics from CheckM2 summary + ch_bin_metrics = checkm2_summary .splitCsv(header: true, sep: '\t') .map { row -> def completeness = Double.parseDouble(row.'Completeness') def contamination = Double.parseDouble(row.'Contamination') - [row.'Bin Id' + ".fa", completeness, contamination] + [row.'Name' + ".fa", completeness, contamination] } } diff --git a/workflows/mag.nf b/workflows/mag.nf index 7afb4316..6b334f73 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -17,7 +17,7 @@ include { BINNING } from '../subwo include { BINNING_REFINEMENT } from '../subworkflows/local/binning_refinement' include { BUSCO_QC } from '../subworkflows/local/busco_qc' include { VIRUS_IDENTIFICATION } from '../subworkflows/local/virus_identification' -include { CHECKM_QC } from '../subworkflows/local/checkm_qc' +include { CHECKM2_QC } from '../subworkflows/local/checkm2_qc' include { GUNC_QC } from '../subworkflows/local/gunc_qc' include { GTDBTK } from '../subworkflows/local/gtdbtk' include { ANCIENT_DNA_ASSEMBLY_VALIDATION } from '../subworkflows/local/ancient_dna' @@ -28,7 +28,6 @@ include { LONGREAD_PREPROCESSING } from '../subwo // // MODULE: Installed directly from nf-core/modules // -include { ARIA2 as ARIA2_UNTAR } from '../modules/nf-core/aria2/main' include { FASTQC as FASTQC_RAW } from '../modules/nf-core/fastqc/main' include { FASTQC as FASTQC_TRIMMED } from '../modules/nf-core/fastqc/main' include { SEQTK_MERGEPE } from '../modules/nf-core/seqtk/mergepe/main' @@ -52,6 +51,7 @@ include { PRODIGAL } from '../modul include { PROKKA } from '../modules/nf-core/prokka/main' include { MMSEQS_DATABASES } from '../modules/nf-core/mmseqs/databases/main' include { METAEUK_EASYPREDICT } from '../modules/nf-core/metaeuk/easypredict/main' +include { CHECKM2_DATABASEDOWNLOAD } from '../modules/nf-core/checkm2/databasedownload/main' // // MODULE: Local to the pipeline @@ -110,8 +110,8 @@ workflow MAG { ch_busco_db = [] } - if (params.checkm_db) { - ch_checkm_db = file(params.checkm_db, checkIfExists: true) + if(params.checkm2_db) { + ch_checkm2_db = [[:], file(params.checkm2_db, checkIfExists: true)] } if (params.gunc_db) { @@ -177,11 +177,10 @@ workflow MAG { // Additional info for completion email and summary def busco_failed_bins = [:] - // Get checkM database if not supplied - - if (!params.skip_binqc && params.binqc_tool == 'checkm' && !params.checkm_db) { - ARIA2_UNTAR(params.checkm_download_url) - ch_checkm_db = ARIA2_UNTAR.out.downloaded_file + // Get CheckM2 database if not supplied + if ( !params.skip_binqc && params.binqc_tool == 'checkm2' && !params.checkm2_db ) { + CHECKM2_DATABASEDOWNLOAD (params.checkm2_db_version) + ch_checkm2_db = CHECKM2_DATABASEDOWNLOAD.out.database } // Get mmseqs db for MetaEuk if requested @@ -638,7 +637,7 @@ workflow MAG { */ ch_busco_summary = Channel.empty() - ch_checkm_summary = Channel.empty() + ch_checkm2_summary = Channel.empty() if (!params.skip_binning || params.ancient_dna) { BINNING_PREPARATION( @@ -774,7 +773,7 @@ workflow MAG { ch_versions = ch_versions.mix(DEPTHS.out.versions) /* - * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM, and/or GUNC + * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM2, and/or GUNC */ ch_input_bins_for_qc = ch_input_for_postbinning_bins_unbins.transpose() @@ -798,29 +797,25 @@ workflow MAG { } } - if (!params.skip_binqc && params.binqc_tool == 'checkm') { + if (!params.skip_binqc && params.binqc_tool == 'checkm2') { /* - * CheckM subworkflow: Quantitative measures for the assessment of genome assembly + * CheckM2 subworkflow: Quantitative measures for the assessment of genome assembly */ - ch_input_bins_for_checkm = ch_input_bins_for_qc.filter { meta, bins -> + ch_input_bins_for_checkm2 = ch_input_bins_for_qc.filter { meta, bins -> meta.domain != "eukarya" } - CHECKM_QC( - ch_input_bins_for_checkm.groupTuple(), - ch_checkm_db + CHECKM2_QC ( + ch_input_bins_for_checkm2.groupTuple(), + ch_checkm2_db ) - ch_checkm_summary = CHECKM_QC.out.summary + ch_checkm2_summary = CHECKM2_QC.out.summary - ch_versions = ch_versions.mix(CHECKM_QC.out.versions) + ch_versions = ch_versions.mix(CHECKM2_QC.out.versions) } - if (params.run_gunc && params.binqc_tool == 'checkm') { - GUNC_QC(ch_input_bins_for_checkm, ch_gunc_db, CHECKM_QC.out.checkm_tsv) - ch_versions = ch_versions.mix(GUNC_QC.out.versions) - } - else if (params.run_gunc) { + if (params.run_gunc) { ch_input_bins_for_gunc = ch_input_for_postbinning_bins_unbins.filter { meta, bins -> meta.domain != "eukarya" } @@ -897,7 +892,7 @@ workflow MAG { GTDBTK( ch_gtdb_bins, ch_busco_summary, - ch_checkm_summary, + ch_checkm2_summary, gtdb, gtdb_mash ) @@ -913,7 +908,7 @@ workflow MAG { BIN_SUMMARY( ch_input_for_binsummary, ch_busco_summary.ifEmpty([]), - ch_checkm_summary.ifEmpty([]), + ch_checkm2_summary.ifEmpty([]), ch_quast_bins_summary.ifEmpty([]), ch_gtdbtk_summary.ifEmpty([]), ch_cat_global_summary.ifEmpty([]) From ca2f97b3b075a80d09ba9ded55af554e3eed5622 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Sun, 27 Oct 2024 19:05:04 -0300 Subject: [PATCH 06/87] fix: Bring back CheckM --- .github/workflows/ci.yml | 34 ++++++++++++ bin/combine_tables.py | 32 +++++++++++ conf/modules.config | 29 ++++++++++ modules.json | 16 ++++++ modules/local/bin_summary.nf | 3 + modules/nf-core/aria2/aria2.diff | 24 ++++++++ modules/nf-core/aria2/main.nf | 41 ++++++++++++++ modules/nf-core/aria2/meta.yml | 30 ++++++++++ modules/nf-core/checkm/lineagewf/main.nf | 47 ++++++++++++++++ modules/nf-core/checkm/lineagewf/meta.yml | 65 ++++++++++++++++++++++ modules/nf-core/checkm/qa/main.nf | 44 +++++++++++++++ modules/nf-core/checkm/qa/meta.yml | 67 +++++++++++++++++++++++ nextflow.config | 3 + nextflow_schema.json | 21 ++++++- subworkflows/local/checkm_qc.nf | 44 +++++++++++++++ subworkflows/local/gtdbtk.nf | 10 +++- workflows/mag.nf | 43 ++++++++++++++- 17 files changed, 545 insertions(+), 8 deletions(-) create mode 100644 modules/nf-core/aria2/aria2.diff create mode 100644 modules/nf-core/aria2/main.nf create mode 100644 modules/nf-core/aria2/meta.yml create mode 100644 modules/nf-core/checkm/lineagewf/main.nf create mode 100644 modules/nf-core/checkm/lineagewf/meta.yml create mode 100644 modules/nf-core/checkm/qa/main.nf create mode 100644 modules/nf-core/checkm/qa/meta.yml create mode 100644 subworkflows/local/checkm_qc.nf diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 98fb0acd..6872104d 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -131,6 +131,40 @@ jobs: run: | nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.test_name }},docker --outdir ./results + checkm: + name: Run single test to checkm due to database download + # Only run on push if this is the nf-core dev branch (merged PRs) + if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/mag') }} + runs-on: ubuntu-latest + + steps: + - name: Free some space + run: | + sudo rm -rf "/usr/local/share/boost" + sudo rm -rf "$AGENT_TOOLSDIRECTORY" + + - name: Check out pipeline code + uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + + - name: Install Nextflow + run: | + wget -qO- get.nextflow.io | bash + sudo mv nextflow /usr/local/bin/ + + - name: Clean up Disk space + uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 + + - name: Download and prepare CheckM database + run: | + mkdir -p databases/checkm + wget https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz -P databases/checkm + tar xzvf databases/checkm/checkm_data_2015_01_16.tar.gz -C databases/checkm/ + + - name: Run pipeline with ${{ matrix.profile }} test profile + run: | + nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results --binqc_tool checkm --checkm_db databases/checkm + + checkm2: name: Run single test to checkm2 due to database download # Only run on push if this is the nf-core dev branch (merged PRs) diff --git a/bin/combine_tables.py b/bin/combine_tables.py index 769b24d4..6604748d 100755 --- a/bin/combine_tables.py +++ b/bin/combine_tables.py @@ -19,6 +19,7 @@ def parse_args(args=None): help="Bin depths summary file.", ) parser.add_argument("-b", "--busco_summary", metavar="FILE", help="BUSCO summary file.") + parser.add_argument("-c", "--checkm_summary", metavar="FILE", help="CheckM summary file.") parser.add_argument("-c", "--checkm2_summary", metavar="FILE", help="CheckM2 summary file.") parser.add_argument("-q", "--quast_summary", metavar="FILE", help="QUAST BINS summary file.") parser.add_argument("-g", "--gtdbtk_summary", metavar="FILE", help="GTDB-Tk summary file.") @@ -110,6 +111,37 @@ def main(args=None): results, busco_results, left_on="bin", right_on="GenomeBin", how="outer" ) # assuming depths for all bins are given + if args.checkm_summary: + use_columns = [ + "Bin Id", + "Marker lineage", + "# genomes", + "# markers", + "# marker sets", + "Completeness", + "Contamination", + "Strain heterogeneity", + "Coding density", + "Translation table", + "# predicted genes", + "0", + "1", + "2", + "3", + "4", + "5+", + ] + checkm_results = pd.read_csv(args.checkm_summary, usecols=use_columns, sep="\t") + checkm_results["Bin Id"] = checkm_results["Bin Id"] + ".fa" + if not bins.equals( + checkm_results["Bin Id"].sort_values().reset_index(drop=True) + ): + sys.exit("Bins in CheckM summary do not match bins in bin depths summary!") + results = pd.merge( + results, checkm_results, left_on="bin", right_on="Bin Id", how="outer" + ) # assuming depths for all bins are given + results["Bin Id"] = results["Bin Id"].str.removesuffix(".fa") + if args.checkm2_summary: use_columns = [ "Name", diff --git a/conf/modules.config b/conf/modules.config index dca9ea21..a12f6970 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -344,6 +344,35 @@ process { publishDir = [path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } + withName: CHECKM_LINEAGEWF { + tag = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}" } + ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}_wf" } + publishDir = [ + path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename } + ] + } + + withName: CHECKM_QA { + ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}_qa" } + ext.args = "-o 2 --tab_table" + publishDir = [ + path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename } + ] + } + + withName: COMBINE_CHECKM_TSV { + ext.prefix = { "checkm_summary" } + publishDir = [ + path: { "${params.outdir}/GenomeBinning/QC" }, + mode: params.publish_dir_mode, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename } + ] + } + withName: CHECKM2_DATABASEDOWNLOAD { publishDir = [ path: { "${params.outdir}/GenomeBinning/QC/CheckM2/checkm2_downloads" }, diff --git a/modules.json b/modules.json index ae36414f..df496e68 100644 --- a/modules.json +++ b/modules.json @@ -10,6 +10,12 @@ "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, + "aria2": { + "branch": "master", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "installed_by": ["modules"], + "patch": "modules/nf-core/aria2/aria2.diff" + }, "bbmap/bbnorm": { "branch": "master", "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", @@ -46,6 +52,16 @@ "installed_by": ["modules"], "patch": "modules/nf-core/centrifuge/kreport/centrifuge-kreport.diff" }, + "checkm/lineagewf": { + "branch": "master", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "installed_by": ["modules"] + }, + "checkm/qa": { + "branch": "master", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "installed_by": ["modules"] + }, "checkm2/databasedownload": { "branch": "master", "git_sha": "e17652681c856afaf2e240ba4c98bf4631a0fe2d", diff --git a/modules/local/bin_summary.nf b/modules/local/bin_summary.nf index 31224442..449f8962 100644 --- a/modules/local/bin_summary.nf +++ b/modules/local/bin_summary.nf @@ -8,6 +8,7 @@ process BIN_SUMMARY { input: path(bin_depths) path(busco_sum) + path(checkm_sum) path(checkm2_sum) path(quast_sum) path(gtdbtk_sum) @@ -19,6 +20,7 @@ process BIN_SUMMARY { script: def busco_summary = busco_sum.sort().size() > 0 ? "--busco_summary ${busco_sum}" : "" + def checkm_summary = checkm2_sum.sort().size() > 0 ? "--checkm2_summary ${checkm2_sum}" : "" def checkm2_summary = checkm2_sum.sort().size() > 0 ? "--checkm2_summary ${checkm2_sum}" : "" def quast_summary = quast_sum.sort().size() > 0 ? "--quast_summary ${quast_sum}" : "" def gtdbtk_summary = gtdbtk_sum.sort().size() > 0 ? "--gtdbtk_summary ${gtdbtk_sum}" : "" @@ -26,6 +28,7 @@ process BIN_SUMMARY { """ combine_tables.py --depths_summary ${bin_depths} \ $busco_summary \ + $checkm_summary \ $checkm2_summary \ $quast_summary \ $gtdbtk_summary \ diff --git a/modules/nf-core/aria2/aria2.diff b/modules/nf-core/aria2/aria2.diff new file mode 100644 index 00000000..789fdb44 --- /dev/null +++ b/modules/nf-core/aria2/aria2.diff @@ -0,0 +1,24 @@ +Changes in module 'nf-core/aria2' +--- modules/nf-core/aria2/main.nf ++++ modules/nf-core/aria2/main.nf +@@ -12,7 +12,7 @@ + val source_url + + output: +- path ("$downloaded_file"), emit: downloaded_file ++ path ("checkm_data_2015_01_16/"), emit: downloaded_file + path "versions.yml" , emit: versions + + when: +@@ -30,6 +30,9 @@ + $args \\ + $source_url + ++ mkdir checkm_data_2015_01_16/ ++ tar x -C checkm_data_2015_01_16 -v -z -f *.tar.gz ++ + cat <<-END_VERSIONS > versions.yml + "${task.process}": + aria2: \$(echo \$(aria2c --version 2>&1) | grep 'aria2 version' | cut -f3 -d ' ') + +************************************************************ diff --git a/modules/nf-core/aria2/main.nf b/modules/nf-core/aria2/main.nf new file mode 100644 index 00000000..b6091dad --- /dev/null +++ b/modules/nf-core/aria2/main.nf @@ -0,0 +1,41 @@ + +process ARIA2 { + tag "$source_url" + label 'process_single' + + conda "conda-forge::aria2=1.36.0" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/aria2:1.36.0' : + 'biocontainers/aria2:1.36.0' }" + + input: + val source_url + + output: + path ("checkm_data_2015_01_16/"), emit: downloaded_file + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + downloaded_file = source_url.split("/")[-1] + + """ + set -e + + aria2c \\ + --check-certificate=false \\ + $args \\ + $source_url + + mkdir checkm_data_2015_01_16/ + tar x -C checkm_data_2015_01_16 -v -z -f *.tar.gz + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + aria2: \$(echo \$(aria2c --version 2>&1) | grep 'aria2 version' | cut -f3 -d ' ') + END_VERSIONS + """ +} diff --git a/modules/nf-core/aria2/meta.yml b/modules/nf-core/aria2/meta.yml new file mode 100644 index 00000000..64c2a524 --- /dev/null +++ b/modules/nf-core/aria2/meta.yml @@ -0,0 +1,30 @@ +name: "aria2" +description: CLI Download utility +keywords: + - download +tools: + - "aria2": + description: "aria2 is a lightweight multi-protocol & multi-source, cross platform download utility operated in command-line. It supports HTTP/HTTPS, FTP, SFTP, BitTorrent and Metalink." + + tool_dev_url: "https://github.com/aria2/aria2/" + + licence: "['GPL v2']" + +input: + - source_url: + type: url + description: Source URL to be downloaded + pattern: "{http,https}*" + +output: + - versions: + type: file + description: File containing software versions + pattern: "versions.yml" + - downloaded_file: + type: file + description: Downloaded files from source + pattern: "*.*" + +authors: + - "@JoseEspinosa" diff --git a/modules/nf-core/checkm/lineagewf/main.nf b/modules/nf-core/checkm/lineagewf/main.nf new file mode 100644 index 00000000..d8674ddc --- /dev/null +++ b/modules/nf-core/checkm/lineagewf/main.nf @@ -0,0 +1,47 @@ +process CHECKM_LINEAGEWF { + tag "$meta.id" + label 'process_medium' + + conda "bioconda::checkm-genome=1.2.1" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.1--pyhdfd78af_0' : + 'biocontainers/checkm-genome:1.2.1--pyhdfd78af_0' }" + + input: + tuple val(meta), path(fasta, stageAs: "input_bins/*") + val fasta_ext + path db + + output: + tuple val(meta), path("${prefix}") , emit: checkm_output + tuple val(meta), path("${prefix}/lineage.ms"), emit: marker_file + tuple val(meta), path("${prefix}.tsv") , emit: checkm_tsv + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + prefix = task.ext.prefix ?: "${meta.id}" + checkm_db = db ? "export CHECKM_DATA_PATH=${db}" : "" + """ + $checkm_db + + checkm \\ + lineage_wf \\ + -t $task.cpus \\ + -f ${prefix}.tsv \\ + --tab_table \\ + --pplacer_threads $task.cpus \\ + -x $fasta_ext \\ + $args \\ + input_bins/ \\ + $prefix + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) + END_VERSIONS + """ +} diff --git a/modules/nf-core/checkm/lineagewf/meta.yml b/modules/nf-core/checkm/lineagewf/meta.yml new file mode 100644 index 00000000..4716a3e9 --- /dev/null +++ b/modules/nf-core/checkm/lineagewf/meta.yml @@ -0,0 +1,65 @@ +name: checkm_lineagewf +description: CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. +keywords: + - checkm + - mag + - metagenome + - quality + - isolates + - microbes + - single cells + - completeness + - contamination + - bins + - genome bins +tools: + - checkm: + description: Assess the quality of microbial genomes recovered from isolates, single cells, and metagenomes. + homepage: https://ecogenomics.github.io/CheckM/ + documentation: https://github.com/Ecogenomics/CheckM/wiki + tool_dev_url: https://github.com/Ecogenomics/CheckM + doi: "10.1101/gr.186072.114" + licence: ["GPL v3"] + +input: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - fasta: + type: file + description: One or a list of multiple FASTA files of each bin, with extension defined with the fasta_ext value + pattern: "*.{$fasta_ext}" + - fasta_ext: + type: value + description: The file-type extension suffix of the input FASTA files (e.g., fasta, fna, fa, fas) + - db: + type: directory + description: Optional directory pointing to checkM database to prevent re-downloading + +output: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample', bin:'1' ] + - versions: + type: file + description: File containing software versions + pattern: "versions.yml" + - checkm_output: + type: directory + description: CheckM output directory + pattern: "*/" + - checkm_output: + type: file + description: Lineage markfer file + pattern: "lineage.ms" + - checkm_tsv: + type: file + description: CheckM summary completeness statistics table + pattern: "*.tsv" + +authors: + - "@jfy133" diff --git a/modules/nf-core/checkm/qa/main.nf b/modules/nf-core/checkm/qa/main.nf new file mode 100644 index 00000000..b0c0e69a --- /dev/null +++ b/modules/nf-core/checkm/qa/main.nf @@ -0,0 +1,44 @@ +process CHECKM_QA { + tag "$meta.id" + label 'process_low' + + conda "bioconda::checkm-genome=1.2.1" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.1--pyhdfd78af_0' : + 'biocontainers/checkm-genome:1.2.1--pyhdfd78af_0' }" + + input: + tuple val(meta), path(analysis_dir), path(marker_file), path(coverage_file) + path exclude_marker_file + + output: + tuple val(meta), path("${prefix}.txt") , optional: true, emit: output + tuple val(meta), path("${prefix}.fasta"), optional: true, emit: fasta + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + prefix = task.ext.prefix ?: "${meta.id}" + suffix = task.ext.args?.matches(".*-o 9.*|.*--out_file 9.*") ? "fasta" : "txt" + def coverage = coverage_file ? "--coverage_file ${coverage_file}" : "" + def exclude = exclude_marker_file ? "--exclude_markers ${marker_filer}" : "" + """ + checkm \\ + qa \\ + --threads ${task.cpus} \\ + --file ${prefix}.${suffix} \\ + $marker_file \\ + $analysis_dir \\ + $coverage \\ + $exclude \\ + $args + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) + END_VERSIONS + """ +} diff --git a/modules/nf-core/checkm/qa/meta.yml b/modules/nf-core/checkm/qa/meta.yml new file mode 100644 index 00000000..d0af39af --- /dev/null +++ b/modules/nf-core/checkm/qa/meta.yml @@ -0,0 +1,67 @@ +name: checkm_qa +description: CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. +keywords: + - checkm + - mag + - metagenome + - quality + - isolates + - microbes + - single cells + - completeness + - contamination + - bins + - genome bins + - qa + - quality assurnce +tools: + - checkm: + description: Assess the quality of microbial genomes recovered from isolates, single cells, and metagenomes. + homepage: https://ecogenomics.github.io/CheckM/ + documentation: https://github.com/Ecogenomics/CheckM/wiki + tool_dev_url: https://github.com/Ecogenomics/CheckM + doi: "10.1101/gr.186072.114" + licence: ["GPL v3"] + +input: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - analysis_dir: + type: file + description: Directory containing output of checkm/analyze or checkm/lineage_wf etc. + pattern: "*" + - marker_file: + type: file + description: Marker file specified during checkm/analyze or produced by checkm/{lineage,taxonomy}_wf + pattern: "*.ms" + - coverage_file: + type: file + description: File containing coverage of each sequence (generated by checkm coverage) + - exclude_marker_file: + type: file + description: File specifying markers to exclude from marker sets + +output: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - versions: + type: file + description: File containing software versions + pattern: "versions.yml" + - output: + type: file + description: "Default completeness statistics in various formats, as specified with --out_format (excluding option: 9)" + pattern: "*.txt" + - fasta: + type: file + description: Output in fasta format (only if --out_format 9) + pattern: "*.fasta" + +authors: + - "@jfy133" diff --git a/nextflow.config b/nextflow.config index 6a5a4d2c..9351235c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -129,6 +129,9 @@ params { busco_auto_lineage_prok = false save_busco_db = false busco_clean = false + checkm_download_url = "https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz" + checkm_db = null + save_checkm_data = false checkm2_db = null checkm2_db_version = 5571251 save_checkm2_data = false diff --git a/nextflow_schema.json b/nextflow_schema.json index 5b5891f8..41e6d9e6 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -715,13 +715,13 @@ "properties": { "skip_binqc": { "type": "boolean", - "description": "Disable bin QC with BUSCO or CheckM2." + "description": "Disable bin QC with BUSCO, CheckM or CheckM2." }, "binqc_tool": { "type": "string", "default": "busco", "description": "Specify which tool for bin quality-control validation to use.", - "enum": ["busco", "checkm2"] + "enum": ["busco", "checkm", "checkm2"] }, "busco_db": { "type": "string", @@ -742,6 +742,23 @@ "description": "Enable clean-up of temporary files created during BUSCO runs.", "help_text": "By default, BUSCO creates a large number of intermediate files every run. This may cause problems on some clusters which have file number limits in plate, particularly with large numbers of bins. Enabling this option cleans these files, reducing the total file count of the work directory." }, + "checkm_download_url": { + "type": "string", + "default": "https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz", + "hidden": true, + "description": "URL pointing to checkM database for auto download, if local path not supplied.", + "help_text": "You can use this parameter to point to an online copy of the checkM database TAR archive that the pipeline will use for auto download if a local path is not supplied to `--checkm_db`." + }, + "checkm_db": { + "type": "string", + "description": "Path to local folder containing already downloaded and uncompressed CheckM database.", + "help_text": "The pipeline can also download this for you if not specified, and you can save the resulting directory into your output directory by specifying `--save_checkm_data`. You should move this directory to somewhere else on your machine (and supply back to the pipeline in future runs again with `--checkm_db`." + }, + "save_checkm_data": { + "type": "boolean", + "description": "Save the used CheckM reference files downloaded when not using --checkm_db parameter.", + "help_text": "If specified, the directories and files decompressed from the `tar.gz` file downloaded from the [CheckM FTP server](https://data.ace.uq.edu.au/public/CheckM_databases/) will be stored in your output directory alongside your CheckM results." + }, "checkm2_db": { "type": "string", "description": "Path to local folder containing already downloaded and uncompressed CheckM2 database (.dmnd file).", diff --git a/subworkflows/local/checkm_qc.nf b/subworkflows/local/checkm_qc.nf new file mode 100644 index 00000000..70ed9708 --- /dev/null +++ b/subworkflows/local/checkm_qc.nf @@ -0,0 +1,44 @@ +/* + * CheckM: Quantitative measures for the assessment of genome assembly + */ + +include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' +include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' +include { COMBINE_TSV as COMBINE_CHECKM_TSV } from '../../modules/local/combine_tsv' + +workflow CHECKM_QC { + take: + bins // channel: [ val(meta), path(bin) ] + checkm_db + + main: + ch_versions = Channel.empty() + + ch_input_checkmdb = checkm_db ? checkm_db : [] + ch_bins_for_checkmlineagewf = bins + .multiMap { + meta, fa -> + reads: [ meta, fa ] + ext: fa.extension.unique().join("") // we set this in the pipeline to always `.fa` so this should be fine + } + + CHECKM_LINEAGEWF ( ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db ) + ch_versions = ch_versions.mix(CHECKM_LINEAGEWF.out.versions.first()) + + ch_checkmqa_input = CHECKM_LINEAGEWF.out.checkm_output + .join(CHECKM_LINEAGEWF.out.marker_file) + .map{ + meta, dir, marker -> + [ meta, dir, marker, []] + } + + CHECKM_QA ( ch_checkmqa_input, [] ) + ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) + + COMBINE_CHECKM_TSV ( CHECKM_QA.out.output.map{it[1]}.collect() ) + + emit: + summary = COMBINE_CHECKM_TSV.out.combined + checkm_tsv = CHECKM_QA.out.output + versions = ch_versions +} diff --git a/subworkflows/local/gtdbtk.nf b/subworkflows/local/gtdbtk.nf index 0bc254e9..07ba91b3 100644 --- a/subworkflows/local/gtdbtk.nf +++ b/subworkflows/local/gtdbtk.nf @@ -10,6 +10,7 @@ workflow GTDBTK { take: bins // channel: [ val(meta), [bins] ] busco_summary // channel: path + checkm_summary // channel: path checkm2_summary // channel: path gtdb // channel: path gtdb_mash // channel: path @@ -38,13 +39,16 @@ workflow GTDBTK { [row.'GenomeBin', completeness, contamination] } } else { - // Collect completeness and contamination metrics from CheckM2 summary - ch_bin_metrics = checkm2_summary + // Collect completeness and contamination metrics from CheckM/CheckM2 summary + summary = params.binqc_tool == 'checkm' ? checkm_summary : checkm2_summary + bin_name = params.binqc_tool == 'checkm' ? 'Bin Id' : 'Name' + + ch_bin_metrics = summary .splitCsv(header: true, sep: '\t') .map { row -> def completeness = Double.parseDouble(row.'Completeness') def contamination = Double.parseDouble(row.'Contamination') - [row.'Name' + ".fa", completeness, contamination] + [row[bin_name] + ".fa", completeness, contamination] } } diff --git a/workflows/mag.nf b/workflows/mag.nf index 6b334f73..541cb049 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -17,6 +17,7 @@ include { BINNING } from '../subwo include { BINNING_REFINEMENT } from '../subworkflows/local/binning_refinement' include { BUSCO_QC } from '../subworkflows/local/busco_qc' include { VIRUS_IDENTIFICATION } from '../subworkflows/local/virus_identification' +include { CHECKM_QC } from '../subworkflows/local/checkm_qc' include { CHECKM2_QC } from '../subworkflows/local/checkm2_qc' include { GUNC_QC } from '../subworkflows/local/gunc_qc' include { GTDBTK } from '../subworkflows/local/gtdbtk' @@ -110,6 +111,10 @@ workflow MAG { ch_busco_db = [] } + if (params.checkm_db) { + ch_checkm_db = file(params.checkm_db, checkIfExists: true) + } + if(params.checkm2_db) { ch_checkm2_db = [[:], file(params.checkm2_db, checkIfExists: true)] } @@ -177,8 +182,15 @@ workflow MAG { // Additional info for completion email and summary def busco_failed_bins = [:] + // Get checkM database if not supplied + + if (!params.skip_binqc && params.binqc_tool == 'checkm' && !params.checkm_db) { + ARIA2_UNTAR(params.checkm_download_url) + ch_checkm_db = ARIA2_UNTAR.out.downloaded_file + } + // Get CheckM2 database if not supplied - if ( !params.skip_binqc && params.binqc_tool == 'checkm2' && !params.checkm2_db ) { + if (!params.skip_binqc && params.binqc_tool == 'checkm2' && !params.checkm2_db) { CHECKM2_DATABASEDOWNLOAD (params.checkm2_db_version) ch_checkm2_db = CHECKM2_DATABASEDOWNLOAD.out.database } @@ -637,6 +649,7 @@ workflow MAG { */ ch_busco_summary = Channel.empty() + ch_checkm_summary = Channel.empty() ch_checkm2_summary = Channel.empty() if (!params.skip_binning || params.ancient_dna) { @@ -773,7 +786,7 @@ workflow MAG { ch_versions = ch_versions.mix(DEPTHS.out.versions) /* - * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM2, and/or GUNC + * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM, CHECKM2, and/or GUNC */ ch_input_bins_for_qc = ch_input_for_postbinning_bins_unbins.transpose() @@ -797,6 +810,24 @@ workflow MAG { } } + if (!params.skip_binqc && params.binqc_tool == 'checkm') { + /* + * CheckM subworkflow: Quantitative measures for the assessment of genome assembly + */ + + ch_input_bins_for_checkm = ch_input_bins_for_qc.filter { meta, bins -> + meta.domain != "eukarya" + } + + CHECKM_QC( + ch_input_bins_for_checkm.groupTuple(), + ch_checkm_db + ) + ch_checkm_summary = CHECKM_QC.out.summary + + ch_versions = ch_versions.mix(CHECKM_QC.out.versions) + } + if (!params.skip_binqc && params.binqc_tool == 'checkm2') { /* * CheckM2 subworkflow: Quantitative measures for the assessment of genome assembly @@ -815,7 +846,11 @@ workflow MAG { ch_versions = ch_versions.mix(CHECKM2_QC.out.versions) } - if (params.run_gunc) { + if (params.run_gunc && params.binqc_tool == 'checkm') { + GUNC_QC(ch_input_bins_for_checkm, ch_gunc_db, CHECKM_QC.out.checkm_tsv) + ch_versions = ch_versions.mix(GUNC_QC.out.versions) + } + else if (params.run_gunc) { ch_input_bins_for_gunc = ch_input_for_postbinning_bins_unbins.filter { meta, bins -> meta.domain != "eukarya" } @@ -892,6 +927,7 @@ workflow MAG { GTDBTK( ch_gtdb_bins, ch_busco_summary, + ch_checkm_summary, ch_checkm2_summary, gtdb, gtdb_mash @@ -908,6 +944,7 @@ workflow MAG { BIN_SUMMARY( ch_input_for_binsummary, ch_busco_summary.ifEmpty([]), + ch_checkm_summary.ifEmpty([]), ch_checkm2_summary.ifEmpty([]), ch_quast_bins_summary.ifEmpty([]), ch_gtdbtk_summary.ifEmpty([]), From 05e3393fbe531fe3416c9e4d50b0a51cb9a53ef6 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Sun, 27 Oct 2024 19:07:38 -0300 Subject: [PATCH 07/87] fix: One more thing --- conf/modules.config | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/conf/modules.config b/conf/modules.config index a12f6970..d4934718 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -344,6 +344,10 @@ process { publishDir = [path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } + withName: ARIA2_UNTAR { + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/CheckM/checkm_downloads" }, mode: params.publish_dir_mode, overwrite: false, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.save_checkm_data] + } + withName: CHECKM_LINEAGEWF { tag = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}" } ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}_wf" } From 3e49dbf953cd631847ace51b2eb692b077f754cf Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Sun, 27 Oct 2024 19:09:24 -0300 Subject: [PATCH 08/87] fix: Linting --- .github/workflows/ci.yml | 1 - subworkflows/local/checkm2_qc.nf | 2 +- 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 6872104d..ccc072c0 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -164,7 +164,6 @@ jobs: run: | nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results --binqc_tool checkm --checkm_db databases/checkm - checkm2: name: Run single test to checkm2 due to database download # Only run on push if this is the nf-core dev branch (merged PRs) diff --git a/subworkflows/local/checkm2_qc.nf b/subworkflows/local/checkm2_qc.nf index 39264d70..444f8c56 100644 --- a/subworkflows/local/checkm2_qc.nf +++ b/subworkflows/local/checkm2_qc.nf @@ -22,4 +22,4 @@ workflow CHECKM2_QC { emit: summary = COMBINE_CHECKM2_TSV.out.combined versions = ch_versions -} \ No newline at end of file +} From b1b6518da2854f5005fd27b60fddb3128420ca0d Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Sun, 27 Oct 2024 19:40:06 -0300 Subject: [PATCH 09/87] fix: Option and checks in bin summary script --- bin/combine_tables.py | 21 +++++++++++++-------- 1 file changed, 13 insertions(+), 8 deletions(-) diff --git a/bin/combine_tables.py b/bin/combine_tables.py index 6604748d..2e95b438 100755 --- a/bin/combine_tables.py +++ b/bin/combine_tables.py @@ -20,7 +20,7 @@ def parse_args(args=None): ) parser.add_argument("-b", "--busco_summary", metavar="FILE", help="BUSCO summary file.") parser.add_argument("-c", "--checkm_summary", metavar="FILE", help="CheckM summary file.") - parser.add_argument("-c", "--checkm2_summary", metavar="FILE", help="CheckM2 summary file.") + parser.add_argument("-C", "--checkm2_summary", metavar="FILE", help="CheckM2 summary file.") parser.add_argument("-q", "--quast_summary", metavar="FILE", help="QUAST BINS summary file.") parser.add_argument("-g", "--gtdbtk_summary", metavar="FILE", help="GTDB-Tk summary file.") parser.add_argument("-a", "--cat_summary", metavar="FILE", help="CAT table file.") @@ -86,16 +86,23 @@ def main(args=None): if ( not args.busco_summary + and not args.checkm_summary and not args.checkm2_summary and not args.quast_summary and not args.gtdbtk_summary ): - sys.exit("No summary specified! Please specify at least BUSCO, CheckM2 or QUAST summary.") + sys.exit( + "No summary specified! " + "Please specify at least BUSCO, CheckM, CheckM2 or QUAST summary." + ) - # GTDB-Tk can only be run in combination with BUSCO or CheckM2 - if args.gtdbtk_summary and not (args.busco_summary or args.checkm2_summary): + # GTDB-Tk can only be run in combination with BUSCO, CheckM or CheckM2 + if args.gtdbtk_summary and not ( + args.busco_summary or args.checkm_summary or args.checkm2_summary + ): sys.exit( - "Invalid parameter combination: GTDB-TK summary specified, but no BUSCO or CheckM2 summary!" + "Invalid parameter combination: " + "GTDB-TK summary specified, but no BUSCO, CheckM or CheckM2 summary!" ) # handle bin depths @@ -133,9 +140,7 @@ def main(args=None): ] checkm_results = pd.read_csv(args.checkm_summary, usecols=use_columns, sep="\t") checkm_results["Bin Id"] = checkm_results["Bin Id"] + ".fa" - if not bins.equals( - checkm_results["Bin Id"].sort_values().reset_index(drop=True) - ): + if not bins.equals(checkm_results["Bin Id"].sort_values().reset_index(drop=True)): sys.exit("Bins in CheckM summary do not match bins in bin depths summary!") results = pd.merge( results, checkm_results, left_on="bin", right_on="Bin Id", how="outer" From 73b5794b06939400ba0f79a57806705f02a890e2 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Sun, 27 Oct 2024 19:43:35 -0300 Subject: [PATCH 10/87] Fix: missing import --- workflows/mag.nf | 1 + 1 file changed, 1 insertion(+) diff --git a/workflows/mag.nf b/workflows/mag.nf index 541cb049..07e462f1 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -29,6 +29,7 @@ include { LONGREAD_PREPROCESSING } from '../subwo // // MODULE: Installed directly from nf-core/modules // +include { ARIA2 as ARIA2_UNTAR } from '../modules/nf-core/aria2/main' include { FASTQC as FASTQC_RAW } from '../modules/nf-core/fastqc/main' include { FASTQC as FASTQC_TRIMMED } from '../modules/nf-core/fastqc/main' include { SEQTK_MERGEPE } from '../modules/nf-core/seqtk/mergepe/main' From 325310bc034b74b36c4d088307abb45f31e6cc9a Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 07:30:26 -0300 Subject: [PATCH 11/87] docs: Output, changelog and citation for CheckM2 --- CHANGELOG.md | 12 ++++++++++++ CITATIONS.md | 4 ++++ conf/modules.config | 2 +- docs/output.md | 30 ++++++++++++++++++++++++++++-- 4 files changed, 45 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 43c68211..d0030836 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,6 +3,18 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). +## Unreleased + +### `Added` + +- [#707](https://github.com/nf-core/mag/pull/707) - Added CheckM2 as an alternative bin completeness and QC tool (added by @dialvarezs) + +### `Dependencies` + +| Tool | Previous version | New version | +| ------- | ---------------- | ----------- | +| CheckM2 | | 1.0.2 | + ## 3.2.0 [2024-10-27] ### `Added` diff --git a/CITATIONS.md b/CITATIONS.md index 52caa1e6..1eee90dc 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -40,6 +40,10 @@ > Parks, D. H., Imelfort, M., Skennerton, C. T., Hugenholtz, P., & Tyson, G. W. (2015). CheckM: assessing the quality of microbial genomes recovered from isolates, single cells, and metagenomes. Genome Research, 25(7), 1043–1055. doi: 10.1101/gr.186072.114 +- [CheckM2](https://doi.org/10.1038/s41592-023-01940-w) + + > Chklovski, A., Parks, D. H., Woodcroft, B. J., & Tyson, G. W. (2023). CheckM2: a rapid, scalable and accurate tool for assessing microbial genome quality using machine learning. Nature Methods, 20(8), 1203-1212. + - [CONCOCT](https://doi.org/10.1038/nmeth.3103) > Alneberg, J., Bjarnason, B. S., de Bruijn, I., Schirmer, M., Quick, J., Ijaz, U. Z., Lahti, L., Loman, N. J., Andersson, A. F., & Quince, C. (2014). Binning metagenomic contigs by coverage and composition. Nature Methods, 11(11), 1144–1146. doi: 10.1038/nmeth.3103 diff --git a/conf/modules.config b/conf/modules.config index d4934718..5b108751 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -395,7 +395,7 @@ process { } withName: COMBINE_CHECKM2_TSV { - ext.prefix = { "checkm_summary" } + ext.prefix = { "checkm2_summary" } publishDir = [ path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, diff --git a/docs/output.md b/docs/output.md index 4e43ffb6..b2ca2aea 100644 --- a/docs/output.md +++ b/docs/output.md @@ -540,7 +540,7 @@ Besides the reference files or output files created by BUSCO, the following summ #### CheckM -[CheckM](https://ecogenomics.github.io/CheckM/) CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. It provides robust estimates of genome completeness and contamination by using collocated sets of genes that are ubiquitous and single-copy within a phylogenetic lineage +[CheckM](https://ecogenomics.github.io/CheckM/) provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. It provides robust estimates of genome completeness and contamination by using collocated sets of genes that are ubiquitous and single-copy within a phylogenetic lineage By default, nf-core/mag runs CheckM with the `check_lineage` workflow that places genome bins on a reference tree to define lineage-marker sets, to check for completeness and contamination based on lineage-specific marker genes. and then subsequently runs `qa` to generate the summary files. @@ -550,7 +550,8 @@ By default, nf-core/mag runs CheckM with the `check_lineage` workflow that place - `GenomeBinning/QC/CheckM/` - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]_qa.txt`: Detailed statistics about bins informing completeness and contamamination scores (output of `checkm qa`). This should normally be your main file to use to evaluate your results. - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]_wf.tsv`: Overall summary file for completeness and contamination (output of `checkm lineage_wf`). - - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]/`: intermediate files for CheckM results, including CheckM generated annotations, log, lineage markers etc. + - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]/`: Intermediate files for CheckM results, including CheckM generated annotations, log, lineage markers etc. +- `GenomeBinning/QC/` - `checkm_summary.tsv`: A summary table of the CheckM results for all bins (output of `checkm qa`). @@ -566,6 +567,31 @@ If the parameter `--save_checkm_reference` is set, additionally the used the Che +#### CheckM2 + +[CheckM2](https://github.com/chklovski/CheckM2) is atool for assessing the quality of metagenome-derived genomes. It uses a machine learning approach to predict the completeness and contamination of a genome regardless of its taxonomic lineage. + +
+Output files + +- `GenomeBinning/QC/CheckM2/` + - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]/quality_report.tsv`: Detailed statistics about bins informing completeness and contamamination scores. This should normally be your main file to use to evaluate your results. + - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]/`: Intermediate files for CheckM2 results, including CheckM2 generated annotations, log, and Diamond alignment results. +- `GenomeBinning/QC/` + - `checkm2_summary.tsv`: A summary table of the CheckM2 results for all bins. + +
+ +If the parameter `--save_checkm2_reference` is set, the CheckM2 reference datasets will be stored in the output directory. + +
+Output files + +- `GenomeBinning/QC/CheckM2/` + - `checkm2_downloads/CheckM2_database/*.dmnd`: Diamond database used by CheckM2. + +
+ #### GUNC [Genome UNClutterer (GUNC)](https://grp-bork.embl-community.io/gunc/index.html) is a tool for detection of chimerism and contamination in prokaryotic genomes resulting from mis-binning of genomic contigs from unrelated lineages. It does so by applying an entropy based score on taxonomic assignment and contig location of all genes in a genome. It is generally considered as a additional complement to CheckM results. From b88302a81ddbcbeb413a90a54296dda688f8e9ca Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 07:32:20 -0300 Subject: [PATCH 12/87] docs: readme --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index d82f04a9..aaad70ca 100644 --- a/README.md +++ b/README.md @@ -35,7 +35,7 @@ The pipeline then: - performs assembly using [MEGAHIT](https://github.com/voutcn/megahit) and [SPAdes](http://cab.spbu.ru/software/spades/), and checks their quality using [Quast](http://quast.sourceforge.net/quast) - (optionally) performs ancient DNA assembly validation using [PyDamage](https://github.com/maxibor/pydamage) and contig consensus sequence recalling with [Freebayes](https://github.com/freebayes/freebayes) and [BCFtools](http://samtools.github.io/bcftools/bcftools.html) - predicts protein-coding genes for the assemblies using [Prodigal](https://github.com/hyattpd/Prodigal), and bins with [Prokka](https://github.com/tseemann/prokka) and optionally [MetaEuk](https://www.google.com/search?channel=fs&client=ubuntu-sn&q=MetaEuk) -- performs metagenome binning using [MetaBAT2](https://bitbucket.org/berkeleylab/metabat/src/master/), [MaxBin2](https://sourceforge.net/projects/maxbin2/), and/or with [CONCOCT](https://github.com/BinPro/CONCOCT), and checks the quality of the genome bins using [Busco](https://busco.ezlab.org/), or [CheckM](https://ecogenomics.github.io/CheckM/), and optionally [GUNC](https://grp-bork.embl-community.io/gunc/). +- performs metagenome binning using [MetaBAT2](https://bitbucket.org/berkeleylab/metabat/src/master/), [MaxBin2](https://sourceforge.net/projects/maxbin2/), and/or with [CONCOCT](https://github.com/BinPro/CONCOCT), and checks the quality of the genome bins using [Busco](https://busco.ezlab.org/), [CheckM](https://ecogenomics.github.io/CheckM/), or [CheckM2](https://github.com/chklovski/CheckM2) and optionally [GUNC](https://grp-bork.embl-community.io/gunc/). - Performs ancient DNA validation and repair with [pyDamage](https://github.com/maxibor/pydamage) and [freebayes](https://github.com/freebayes/freebayes) - optionally refines bins with [DAS Tool](https://github.com/cmks/DAS_Tool) - assigns taxonomy to bins using [GTDB-Tk](https://github.com/Ecogenomics/GTDBTk) and/or [CAT](https://github.com/dutilh/CAT) and optionally identifies viruses in assemblies using [geNomad](https://github.com/apcamargo/genomad), or Eukaryotes with [Tiara](https://github.com/ibe-uw/tiara) From 3da7441e55cd8df4339b44900c56e66751a47ded Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 07:56:15 -0300 Subject: [PATCH 13/87] docs: Update readme --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index aaad70ca..a5ae232f 100644 --- a/README.md +++ b/README.md @@ -90,6 +90,7 @@ Other code contributors include: - [Phil Palmer](https://github.com/PhilPalmer) - [@willros](https://github.com/willros) - [Adam Rosenbaum](https://github.com/muabnezor) +- [Diego Alvarez](https://github.com/dialvarezs) Long read processing was inspired by [caspargross/HybridAssembly](https://github.com/caspargross/HybridAssembly) written by Caspar Gross [@caspargross](https://github.com/caspargross) From 3d98415e75e4205c465b94d7ba13a9f8e9fdfd4a Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 09:57:24 -0300 Subject: [PATCH 14/87] refactor: Merge checkm and checkm2 subworkflows in a single one Also, simplify bin_summary regarding bin qc --- bin/combine_tables.py | 28 ++++++------- conf/modules.config | 11 +----- modules/local/bin_summary.nf | 13 ++---- subworkflows/local/checkm2_qc.nf | 25 ------------ subworkflows/local/checkm_qc.nf | 52 ++++++++++++++---------- subworkflows/local/gtdbtk.nf | 4 +- workflows/mag.nf | 68 ++++++++++---------------------- 7 files changed, 71 insertions(+), 130 deletions(-) delete mode 100644 subworkflows/local/checkm2_qc.nf diff --git a/bin/combine_tables.py b/bin/combine_tables.py index 2e95b438..e287676a 100755 --- a/bin/combine_tables.py +++ b/bin/combine_tables.py @@ -18,12 +18,14 @@ def parse_args(args=None): metavar="FILE", help="Bin depths summary file.", ) - parser.add_argument("-b", "--busco_summary", metavar="FILE", help="BUSCO summary file.") - parser.add_argument("-c", "--checkm_summary", metavar="FILE", help="CheckM summary file.") - parser.add_argument("-C", "--checkm2_summary", metavar="FILE", help="CheckM2 summary file.") + parser.add_argument("-b", "--binqc_summary", metavar="FILE", help="BUSCO summary file.") parser.add_argument("-q", "--quast_summary", metavar="FILE", help="QUAST BINS summary file.") parser.add_argument("-g", "--gtdbtk_summary", metavar="FILE", help="GTDB-Tk summary file.") parser.add_argument("-a", "--cat_summary", metavar="FILE", help="CAT table file.") + parser.add_argument( + "-t", "--binqc_tool", help="Bin QC tool used", choices=["busco", "checkm", "checkm2"] + ) + parser.add_argument( "-o", "--out", @@ -85,9 +87,7 @@ def main(args=None): args = parse_args(args) if ( - not args.busco_summary - and not args.checkm_summary - and not args.checkm2_summary + not args.binqc_summary and not args.quast_summary and not args.gtdbtk_summary ): @@ -97,9 +97,7 @@ def main(args=None): ) # GTDB-Tk can only be run in combination with BUSCO, CheckM or CheckM2 - if args.gtdbtk_summary and not ( - args.busco_summary or args.checkm_summary or args.checkm2_summary - ): + if args.gtdbtk_summary and not args.binqc_summary: sys.exit( "Invalid parameter combination: " "GTDB-TK summary specified, but no BUSCO, CheckM or CheckM2 summary!" @@ -110,15 +108,15 @@ def main(args=None): results.columns = ["Depth " + str(col) if col != "bin" else col for col in results.columns] bins = results["bin"].sort_values().reset_index(drop=True) - if args.busco_summary: - busco_results = pd.read_csv(args.busco_summary, sep="\t") + if args.binqc_summary and args.binqc_tool == "busco": + busco_results = pd.read_csv(args.binqc_summary, sep="\t") if not bins.equals(busco_results["GenomeBin"].sort_values().reset_index(drop=True)): sys.exit("Bins in BUSCO summary do not match bins in bin depths summary!") results = pd.merge( results, busco_results, left_on="bin", right_on="GenomeBin", how="outer" ) # assuming depths for all bins are given - if args.checkm_summary: + if args.binqc_summary and args.binqc_tool == "checkm": use_columns = [ "Bin Id", "Marker lineage", @@ -138,7 +136,7 @@ def main(args=None): "4", "5+", ] - checkm_results = pd.read_csv(args.checkm_summary, usecols=use_columns, sep="\t") + checkm_results = pd.read_csv(args.binqc_summary, usecols=use_columns, sep="\t") checkm_results["Bin Id"] = checkm_results["Bin Id"] + ".fa" if not bins.equals(checkm_results["Bin Id"].sort_values().reset_index(drop=True)): sys.exit("Bins in CheckM summary do not match bins in bin depths summary!") @@ -147,7 +145,7 @@ def main(args=None): ) # assuming depths for all bins are given results["Bin Id"] = results["Bin Id"].str.removesuffix(".fa") - if args.checkm2_summary: + if args.binqc_summary and args.binqc_tool == "checkm2": use_columns = [ "Name", "Completeness", @@ -157,7 +155,7 @@ def main(args=None): "Translation_Table_Used", "Total_Coding_Sequences", ] - checkm2_results = pd.read_csv(args.checkm2_summary, usecols=use_columns, sep="\t") + checkm2_results = pd.read_csv(args.binqc_summary, usecols=use_columns, sep="\t") checkm2_results["Name"] = checkm2_results["Name"] + ".fa" if not set(checkm2_results["Name"]).issubset(set(bins)): sys.exit("Bins in CheckM2 summary do not match bins in bin depths summary!") diff --git a/conf/modules.config b/conf/modules.config index 5b108751..1c7afa3c 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -369,7 +369,7 @@ process { } withName: COMBINE_CHECKM_TSV { - ext.prefix = { "checkm_summary" } + ext.prefix = { params.binqc_tool == "checkm" ? "checkm_summary" : "checkm2_summary" } publishDir = [ path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, @@ -394,15 +394,6 @@ process { ] } - withName: COMBINE_CHECKM2_TSV { - ext.prefix = { "checkm2_summary" } - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] - } - withName: GUNC_DOWNLOADDB { publishDir = [ path: { "${params.outdir}/GenomeBinning/QC/GUNC" }, diff --git a/modules/local/bin_summary.nf b/modules/local/bin_summary.nf index 449f8962..9208822a 100644 --- a/modules/local/bin_summary.nf +++ b/modules/local/bin_summary.nf @@ -7,9 +7,7 @@ process BIN_SUMMARY { input: path(bin_depths) - path(busco_sum) - path(checkm_sum) - path(checkm2_sum) + path(binqc_sum) path(quast_sum) path(gtdbtk_sum) path(cat_sum) @@ -19,20 +17,17 @@ process BIN_SUMMARY { path "versions.yml" , emit: versions script: - def busco_summary = busco_sum.sort().size() > 0 ? "--busco_summary ${busco_sum}" : "" - def checkm_summary = checkm2_sum.sort().size() > 0 ? "--checkm2_summary ${checkm2_sum}" : "" - def checkm2_summary = checkm2_sum.sort().size() > 0 ? "--checkm2_summary ${checkm2_sum}" : "" + def binqc_summary = binqc_sum.sort().size() > 0 ? "--binqc_summary ${binqc_sum}" : "" def quast_summary = quast_sum.sort().size() > 0 ? "--quast_summary ${quast_sum}" : "" def gtdbtk_summary = gtdbtk_sum.sort().size() > 0 ? "--gtdbtk_summary ${gtdbtk_sum}" : "" def cat_summary = cat_sum.sort().size() > 0 ? "--cat_summary ${cat_sum}" : "" """ combine_tables.py --depths_summary ${bin_depths} \ - $busco_summary \ - $checkm_summary \ - $checkm2_summary \ + $binqc_summary \ $quast_summary \ $gtdbtk_summary \ $cat_summary \ + --binqc_tool ${params.binqc_tool} \ --out bin_summary.tsv cat <<-END_VERSIONS > versions.yml diff --git a/subworkflows/local/checkm2_qc.nf b/subworkflows/local/checkm2_qc.nf deleted file mode 100644 index 444f8c56..00000000 --- a/subworkflows/local/checkm2_qc.nf +++ /dev/null @@ -1,25 +0,0 @@ -/* - * CheckM2: Assessing the quality of metagenome-derived genome bins using machine learning - */ - -include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' -include { COMBINE_TSV as COMBINE_CHECKM2_TSV } from '../../modules/local/combine_tsv' - - -workflow CHECKM2_QC { - take: - bins // channel: [ val(meta), path(bin) ] - checkm2_db - - main: - ch_versions = Channel.empty() - - CHECKM2_PREDICT ( bins, checkm2_db ) - ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) - - COMBINE_CHECKM2_TSV ( CHECKM2_PREDICT.out.checkm2_tsv.map{it[1]}.collect() ) - - emit: - summary = COMBINE_CHECKM2_TSV.out.combined - versions = ch_versions -} diff --git a/subworkflows/local/checkm_qc.nf b/subworkflows/local/checkm_qc.nf index 70ed9708..73183d2d 100644 --- a/subworkflows/local/checkm_qc.nf +++ b/subworkflows/local/checkm_qc.nf @@ -1,44 +1,54 @@ /* - * CheckM: Quantitative measures for the assessment of genome assembly + * CheckM/CheckM2: Quantitative measures for the assessment of genome assembly */ include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' +include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' include { COMBINE_TSV as COMBINE_CHECKM_TSV } from '../../modules/local/combine_tsv' workflow CHECKM_QC { take: bins // channel: [ val(meta), path(bin) ] checkm_db + checkm2_db main: ch_versions = Channel.empty() - ch_input_checkmdb = checkm_db ? checkm_db : [] - ch_bins_for_checkmlineagewf = bins - .multiMap { - meta, fa -> - reads: [ meta, fa ] - ext: fa.extension.unique().join("") // we set this in the pipeline to always `.fa` so this should be fine - } - - CHECKM_LINEAGEWF ( ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db ) - ch_versions = ch_versions.mix(CHECKM_LINEAGEWF.out.versions.first()) - - ch_checkmqa_input = CHECKM_LINEAGEWF.out.checkm_output - .join(CHECKM_LINEAGEWF.out.marker_file) - .map{ - meta, dir, marker -> - [ meta, dir, marker, []] + if (params.binqc_tool == "checkm") { + ch_bins_for_checkmlineagewf = bins.multiMap { + meta, fa -> + reads: [ meta, fa ] + ext: fa.extension.unique().join("") // we set this in the pipeline to always `.fa` so this should be fine } - CHECKM_QA ( ch_checkmqa_input, [] ) - ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) + CHECKM_LINEAGEWF(ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db) + ch_versions = ch_versions.mix(CHECKM_LINEAGEWF.out.versions.first()) - COMBINE_CHECKM_TSV ( CHECKM_QA.out.output.map{it[1]}.collect() ) + ch_checkmqa_input = CHECKM_LINEAGEWF.out.checkm_output + .join(CHECKM_LINEAGEWF.out.marker_file) + .map{ + meta, dir, marker -> + [ meta, dir, marker, []] + } + + CHECKM_QA ( ch_checkmqa_input, [] ) + + ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) + + COMBINE_CHECKM_TSV(CHECKM_QA.out.output.map{it[1]}.collect()) + } + if (params.binqc_tool == "checkm2") { + CHECKM2_PREDICT(bins, checkm2_db) + + ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) + + COMBINE_CHECKM_TSV(CHECKM2_PREDICT.out.checkm2_tsv.map{it[1]}.collect()) + } emit: summary = COMBINE_CHECKM_TSV.out.combined - checkm_tsv = CHECKM_QA.out.output + checkm_tsv = params.binqc_tool == "checkm" ? CHECKM_QA.out.output : [] versions = ch_versions } diff --git a/subworkflows/local/gtdbtk.nf b/subworkflows/local/gtdbtk.nf index 07ba91b3..83af9e24 100644 --- a/subworkflows/local/gtdbtk.nf +++ b/subworkflows/local/gtdbtk.nf @@ -11,7 +11,6 @@ workflow GTDBTK { bins // channel: [ val(meta), [bins] ] busco_summary // channel: path checkm_summary // channel: path - checkm2_summary // channel: path gtdb // channel: path gtdb_mash // channel: path @@ -40,10 +39,9 @@ workflow GTDBTK { } } else { // Collect completeness and contamination metrics from CheckM/CheckM2 summary - summary = params.binqc_tool == 'checkm' ? checkm_summary : checkm2_summary bin_name = params.binqc_tool == 'checkm' ? 'Bin Id' : 'Name' - ch_bin_metrics = summary + ch_bin_metrics = checkm_summary .splitCsv(header: true, sep: '\t') .map { row -> def completeness = Double.parseDouble(row.'Completeness') diff --git a/workflows/mag.nf b/workflows/mag.nf index 07e462f1..ab05e654 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -18,7 +18,6 @@ include { BINNING_REFINEMENT } from '../subwo include { BUSCO_QC } from '../subworkflows/local/busco_qc' include { VIRUS_IDENTIFICATION } from '../subworkflows/local/virus_identification' include { CHECKM_QC } from '../subworkflows/local/checkm_qc' -include { CHECKM2_QC } from '../subworkflows/local/checkm2_qc' include { GUNC_QC } from '../subworkflows/local/gunc_qc' include { GTDBTK } from '../subworkflows/local/gtdbtk' include { ANCIENT_DNA_ASSEMBLY_VALIDATION } from '../subworkflows/local/ancient_dna' @@ -79,7 +78,7 @@ include { COMBINE_TSV as COMBINE_SUMMARY_TSV } from '../modul workflow MAG { take: - ch_raw_short_reads // channel: samplesheet read in from --input + ch_raw_short_reads // channel: samplesheet read in from --input ch_raw_long_reads ch_input_assemblies @@ -115,10 +114,16 @@ workflow MAG { if (params.checkm_db) { ch_checkm_db = file(params.checkm_db, checkIfExists: true) } + else { + ch_checkm_db = [] + } - if(params.checkm2_db) { + if (params.checkm2_db) { ch_checkm2_db = [[:], file(params.checkm2_db, checkIfExists: true)] } + else { + ch_checkm2_db = [] + } if (params.gunc_db) { ch_gunc_db = file(params.gunc_db, checkIfExists: true) @@ -192,7 +197,7 @@ workflow MAG { // Get CheckM2 database if not supplied if (!params.skip_binqc && params.binqc_tool == 'checkm2' && !params.checkm2_db) { - CHECKM2_DATABASEDOWNLOAD (params.checkm2_db_version) + CHECKM2_DATABASEDOWNLOAD(params.checkm2_db_version) ch_checkm2_db = CHECKM2_DATABASEDOWNLOAD.out.database } @@ -232,20 +237,7 @@ workflow MAG { // due to strange output file scheme in AR2, have to manually separate // SE/PE to allow correct pulling of reads after. ch_adapterremoval_in = ch_raw_short_reads.branch { - single: it[0]['single_end'] - paired: !it[0]['single_end'] - } - - ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) - ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) - - ch_short_reads_prepped = Channel.empty() - ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) - - ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) - } - } - else { + siMerge ch_short_reads_prepped = ch_raw_short_reads } @@ -804,16 +796,18 @@ workflow MAG { ch_busco_summary = BUSCO_QC.out.summary ch_versions = ch_versions.mix(BUSCO_QC.out.versions.first()) // process information if BUSCO analysis failed for individual bins due to no matching genes - BUSCO_QC.out.failed_bin.splitCsv(sep: '\t').map { bin, error -> - if (!bin.contains(".unbinned.")) { - busco_failed_bins[bin] = error + BUSCO_QC.out.failed_bin + .splitCsv(sep: '\t') + .map { bin, error -> + if (!bin.contains(".unbinned.")) { + busco_failed_bins[bin] = error + } } - } } - if (!params.skip_binqc && params.binqc_tool == 'checkm') { + if (!params.skip_binqc && params.binqc_tool in ['checkm', 'checkm2']) { /* - * CheckM subworkflow: Quantitative measures for the assessment of genome assembly + * CheckM/CheckM2 subworkflow: Quantitative measures for the assessment of genome assembly */ ch_input_bins_for_checkm = ch_input_bins_for_qc.filter { meta, bins -> @@ -822,31 +816,14 @@ workflow MAG { CHECKM_QC( ch_input_bins_for_checkm.groupTuple(), - ch_checkm_db + ch_checkm_db, + ch_checkm2_db ) ch_checkm_summary = CHECKM_QC.out.summary ch_versions = ch_versions.mix(CHECKM_QC.out.versions) } - if (!params.skip_binqc && params.binqc_tool == 'checkm2') { - /* - * CheckM2 subworkflow: Quantitative measures for the assessment of genome assembly - */ - - ch_input_bins_for_checkm2 = ch_input_bins_for_qc.filter { meta, bins -> - meta.domain != "eukarya" - } - - CHECKM2_QC ( - ch_input_bins_for_checkm2.groupTuple(), - ch_checkm2_db - ) - ch_checkm2_summary = CHECKM2_QC.out.summary - - ch_versions = ch_versions.mix(CHECKM2_QC.out.versions) - } - if (params.run_gunc && params.binqc_tool == 'checkm') { GUNC_QC(ch_input_bins_for_checkm, ch_gunc_db, CHECKM_QC.out.checkm_tsv) ch_versions = ch_versions.mix(GUNC_QC.out.versions) @@ -929,7 +906,6 @@ workflow MAG { ch_gtdb_bins, ch_busco_summary, ch_checkm_summary, - ch_checkm2_summary, gtdb, gtdb_mash ) @@ -944,9 +920,7 @@ workflow MAG { if ((!params.skip_binqc) || !params.skip_quast || !params.skip_gtdbtk) { BIN_SUMMARY( ch_input_for_binsummary, - ch_busco_summary.ifEmpty([]), - ch_checkm_summary.ifEmpty([]), - ch_checkm2_summary.ifEmpty([]), + params.binqc_tool == "busco" ? ch_busco_summary.ifEmpty([]) : ch_checkm_summary.ifEmpty([]), ch_quast_bins_summary.ifEmpty([]), ch_gtdbtk_summary.ifEmpty([]), ch_cat_global_summary.ifEmpty([]) From 8b4fcc7339f071aba0754bfa718466baabf8f200 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 10:02:31 -0300 Subject: [PATCH 15/87] fix: Restore mistakenly deleted code --- workflows/mag.nf | 15 ++++++++++++++- 1 file changed, 14 insertions(+), 1 deletion(-) diff --git a/workflows/mag.nf b/workflows/mag.nf index ab05e654..8d993340 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -237,7 +237,20 @@ workflow MAG { // due to strange output file scheme in AR2, have to manually separate // SE/PE to allow correct pulling of reads after. ch_adapterremoval_in = ch_raw_short_reads.branch { - siMerge + single: it[0]['single_end'] + paired: !it[0]['single_end'] + } + + ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) + ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) + + ch_short_reads_prepped = Channel.empty() + ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) + + ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) + } + } + else { ch_short_reads_prepped = ch_raw_short_reads } From 6f38499f76edfbf2e0c8712a52e43c5ccab33a1a Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 17:31:36 -0300 Subject: [PATCH 16/87] Testing param --- nextflow.config | 1 + nextflow_schema.json | 5 +++++ workflows/mag.nf | 20 ++++++++++++-------- 3 files changed, 18 insertions(+), 8 deletions(-) diff --git a/nextflow.config b/nextflow.config index 07325acf..ea0a87e5 100644 --- a/nextflow.config +++ b/nextflow.config @@ -121,6 +121,7 @@ params { refine_bins_dastool = false refine_bins_dastool_threshold = 0.5 postbinning_input = 'raw_bins_only' + include_unbins_in_postbinning = true // Bin QC skip_binqc = false diff --git a/nextflow_schema.json b/nextflow_schema.json index ceb3ac08..26342674 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -704,6 +704,11 @@ "type": "integer", "default": 3000, "description": "Minimum contig length for Tiara to use for domain classification. For accurate classification, should be longer than 3000 bp." + }, + "include_unbins_in_postbinning": { + "type": "boolean", + "description": "Include unbinned contigs in the post-binning output (.", + "default": true } } }, diff --git a/workflows/mag.nf b/workflows/mag.nf index 7afb4316..27262116 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -769,7 +769,11 @@ workflow MAG { ch_input_for_postbinning_bins_unbins = ch_binning_results_bins.mix(ch_binning_results_unbins) } - DEPTHS(ch_input_for_postbinning_bins_unbins, BINNING.out.metabat2depths, ch_short_reads) + def ch_input_for_postbinning = params.include_unbins_in_postbinning + ? ch_input_for_postbinning_bins_unbins + : ch_input_for_postbinning_bins + + DEPTHS(ch_input_for_postbinning, BINNING.out.metabat2depths, ch_short_reads) ch_input_for_binsummary = DEPTHS.out.depths_summary ch_versions = ch_versions.mix(DEPTHS.out.versions) @@ -777,7 +781,7 @@ workflow MAG { * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM, and/or GUNC */ - ch_input_bins_for_qc = ch_input_for_postbinning_bins_unbins.transpose() + ch_input_bins_for_qc = ch_input_for_postbinning.transpose() if (!params.skip_binqc && params.binqc_tool == 'busco') { /* @@ -821,7 +825,7 @@ workflow MAG { ch_versions = ch_versions.mix(GUNC_QC.out.versions) } else if (params.run_gunc) { - ch_input_bins_for_gunc = ch_input_for_postbinning_bins_unbins.filter { meta, bins -> + ch_input_bins_for_gunc = ch_input_for_postbinning.filter { meta, bins -> meta.domain != "eukarya" } GUNC_QC(ch_input_bins_for_qc, ch_gunc_db, []) @@ -830,7 +834,7 @@ workflow MAG { ch_quast_bins_summary = Channel.empty() if (!params.skip_quast) { - ch_input_for_quast_bins = ch_input_for_postbinning_bins_unbins + ch_input_for_quast_bins = ch_input_for_postbinning .groupTuple() .map { meta, bins -> def new_bins = bins.flatten() @@ -859,7 +863,7 @@ workflow MAG { ch_cat_db = CAT_DB_GENERATE.out.db } CAT( - ch_input_for_postbinning_bins_unbins, + ch_input_for_postbinning, ch_cat_db ) // Group all classification results for each sample in a single file @@ -890,7 +894,7 @@ workflow MAG { ch_gtdbtk_summary = Channel.empty() if (gtdb) { - ch_gtdb_bins = ch_input_for_postbinning_bins_unbins.filter { meta, bins -> + ch_gtdb_bins = ch_input_for_postbinning.filter { meta, bins -> meta.domain != "eukarya" } @@ -925,7 +929,7 @@ workflow MAG { */ if (!params.skip_prokka) { - ch_bins_for_prokka = ch_input_for_postbinning_bins_unbins + ch_bins_for_prokka = ch_input_for_postbinning .transpose() .map { meta, bin -> def meta_new = meta + [id: bin.getBaseName()] @@ -944,7 +948,7 @@ workflow MAG { } if (!params.skip_metaeuk && (params.metaeuk_db || params.metaeuk_mmseqs_db)) { - ch_bins_for_metaeuk = ch_input_for_postbinning_bins_unbins + ch_bins_for_metaeuk = ch_input_for_postbinning .transpose() .filter { meta, bin -> meta.domain in ["eukarya", "unclassified"] From dca7b71aa40d958a014e03b967ae62b7d5f45081 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 17:55:26 -0300 Subject: [PATCH 17/87] Complete schema description --- nextflow_schema.json | 2 +- workflows/mag.nf | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 26342674..f11868b6 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -707,7 +707,7 @@ }, "include_unbins_in_postbinning": { "type": "boolean", - "description": "Include unbinned contigs in the post-binning output (.", + "description": "Include unbinned contigs in the post-binning steps (bin qc, taxonomic classification and annotation).", "default": true } } diff --git a/workflows/mag.nf b/workflows/mag.nf index 27262116..9a02d1b7 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -769,7 +769,7 @@ workflow MAG { ch_input_for_postbinning_bins_unbins = ch_binning_results_bins.mix(ch_binning_results_unbins) } - def ch_input_for_postbinning = params.include_unbins_in_postbinning + ch_input_for_postbinning = params.include_unbins_in_postbinning ? ch_input_for_postbinning_bins_unbins : ch_input_for_postbinning_bins From dd7f135f9816c483c2bc3d0b23c704b85f554396 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 17:55:33 -0300 Subject: [PATCH 18/87] Fix channel --- workflows/mag.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/workflows/mag.nf b/workflows/mag.nf index 9a02d1b7..19ea6be2 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -828,7 +828,7 @@ workflow MAG { ch_input_bins_for_gunc = ch_input_for_postbinning.filter { meta, bins -> meta.domain != "eukarya" } - GUNC_QC(ch_input_bins_for_qc, ch_gunc_db, []) + GUNC_QC(ch_input_bins_for_gunc, ch_gunc_db, []) ch_versions = ch_versions.mix(GUNC_QC.out.versions) } From 705198e3d2437ca1759bde33cff4586cee8b9224 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 28 Oct 2024 18:13:07 -0300 Subject: [PATCH 19/87] Invert parameter --- nextflow.config | 2 +- nextflow_schema.json | 6 +++--- workflows/mag.nf | 6 +++--- 3 files changed, 7 insertions(+), 7 deletions(-) diff --git a/nextflow.config b/nextflow.config index ea0a87e5..2bca0b93 100644 --- a/nextflow.config +++ b/nextflow.config @@ -121,7 +121,7 @@ params { refine_bins_dastool = false refine_bins_dastool_threshold = 0.5 postbinning_input = 'raw_bins_only' - include_unbins_in_postbinning = true + exclude_unbins_in_postbinning = false // Bin QC skip_binqc = false diff --git a/nextflow_schema.json b/nextflow_schema.json index f11868b6..233f042a 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -705,10 +705,10 @@ "default": 3000, "description": "Minimum contig length for Tiara to use for domain classification. For accurate classification, should be longer than 3000 bp." }, - "include_unbins_in_postbinning": { + "exclude_unbins_in_postbinning": { "type": "boolean", - "description": "Include unbinned contigs in the post-binning steps (bin qc, taxonomic classification and annotation).", - "default": true + "description": "Exclude unbinned contigs in the post-binning steps (bin qc, taxonomic classification and annotation).", + "default": false } } }, diff --git a/workflows/mag.nf b/workflows/mag.nf index 19ea6be2..6ae9bce7 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -769,9 +769,9 @@ workflow MAG { ch_input_for_postbinning_bins_unbins = ch_binning_results_bins.mix(ch_binning_results_unbins) } - ch_input_for_postbinning = params.include_unbins_in_postbinning - ? ch_input_for_postbinning_bins_unbins - : ch_input_for_postbinning_bins + ch_input_for_postbinning = params.exclude_unbins_in_postbinning + ? ch_input_for_postbinning_bins + : ch_input_for_postbinning_bins_unbins DEPTHS(ch_input_for_postbinning, BINNING.out.metabat2depths, ch_short_reads) ch_input_for_binsummary = DEPTHS.out.depths_summary From 9504788600dd56f5721050ae03ae32da2dcdb26e Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 30 Oct 2024 02:17:47 -0300 Subject: [PATCH 20/87] Apply suggestions from code review Co-authored-by: James A. Fellows Yates --- nextflow.config | 2 +- nextflow_schema.json | 5 +++-- workflows/mag.nf | 2 +- 3 files changed, 5 insertions(+), 4 deletions(-) diff --git a/nextflow.config b/nextflow.config index 2bca0b93..1ecabbdc 100644 --- a/nextflow.config +++ b/nextflow.config @@ -121,7 +121,7 @@ params { refine_bins_dastool = false refine_bins_dastool_threshold = 0.5 postbinning_input = 'raw_bins_only' - exclude_unbins_in_postbinning = false + exclude_unbins_from_postbinning = false // Bin QC skip_binqc = false diff --git a/nextflow_schema.json b/nextflow_schema.json index 233f042a..923306e5 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -705,9 +705,10 @@ "default": 3000, "description": "Minimum contig length for Tiara to use for domain classification. For accurate classification, should be longer than 3000 bp." }, - "exclude_unbins_in_postbinning": { + "exclude_unbins_from_postbinning": { "type": "boolean", - "description": "Exclude unbinned contigs in the post-binning steps (bin qc, taxonomic classification and annotation).", + "description": "Exclude unbinned contigs in the post-binning steps (bin QC, taxonomic classification, and annotation steps).", + "help": "If you're not interested in assemblies results that are not considered 'genome level', excluding unbinned contigs can greatly speed up downstream steps such as Prokka, that can be quite slow and spin up many tasks.", "default": false } } diff --git a/workflows/mag.nf b/workflows/mag.nf index 6ae9bce7..356c39fe 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -769,7 +769,7 @@ workflow MAG { ch_input_for_postbinning_bins_unbins = ch_binning_results_bins.mix(ch_binning_results_unbins) } - ch_input_for_postbinning = params.exclude_unbins_in_postbinning + ch_input_for_postbinning = params.exclude_unbins_from_postbinning ? ch_input_for_postbinning_bins : ch_input_for_postbinning_bins_unbins From af7300f290954bc8a3f82f52ff2576296fb095cc Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 30 Oct 2024 02:24:25 -0300 Subject: [PATCH 21/87] Update changelog --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index a902cd7b..7e7c3b9f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,10 +6,12 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## dev [unreleased] ### `Added` +- [#708](https://github.com/nf-core/mag/pull/708) - Added `dev-exclude-unbinned` parameter to exclude unbinned contigs from post-binning processes (added by @dialvarezs) ### `Changed` ### `Fixed` +- [#708](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) ### `Dependencies` From aa2520147105030d3a4072ba2e61cd705bcaaba1 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 30 Oct 2024 02:25:37 -0300 Subject: [PATCH 22/87] Pre-commit --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 7e7c3b9f..77b15c09 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,11 +6,13 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## dev [unreleased] ### `Added` + - [#708](https://github.com/nf-core/mag/pull/708) - Added `dev-exclude-unbinned` parameter to exclude unbinned contigs from post-binning processes (added by @dialvarezs) ### `Changed` ### `Fixed` + - [#708](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) ### `Dependencies` From 8c46072e939b1db25c4c0ba3386753890150fca7 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 30 Oct 2024 10:31:26 +0100 Subject: [PATCH 23/87] Post patch bump --- .nf-core.yml | 2 +- CHANGELOG.md | 12 ++++++++++++ assets/multiqc_config.yml | 4 ++-- nextflow.config | 2 +- 4 files changed, 16 insertions(+), 4 deletions(-) diff --git a/.nf-core.yml b/.nf-core.yml index f945d00c..558d7eee 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -18,5 +18,5 @@ template: org: nf-core outdir: . skip_features: null - version: 3.2.1 + version: 3.3.0dev update: null diff --git a/CHANGELOG.md b/CHANGELOG.md index f7b929e3..1e6ad844 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,6 +3,18 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). +## dev [unreleased] + +### `Added` + +### `Changed` + +### `Fixed` + +### `Dependencies` + +### `Deprecated` + ## 3.2.1 [2024-10-30] ### `Added` diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index 434dfa7b..fe8d388f 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,7 +1,7 @@ report_comment: > - This report has been generated by the nf-core/mag + This report has been generated by the nf-core/mag analysis pipeline. For information about how to interpret these results, please see the - documentation. + documentation. report_section_order: "nf-core-mag-methods-description": order: -1000 diff --git a/nextflow.config b/nextflow.config index 4c5e67fa..07325acf 100644 --- a/nextflow.config +++ b/nextflow.config @@ -375,7 +375,7 @@ manifest { description = """Assembly, binning and annotation of metagenomes""" mainScript = 'main.nf' nextflowVersion = '!>=24.04.2' - version = '3.2.1' + version = '3.3.0dev' doi = '10.1093/nargab/lqac007' } From 1a00c14f3e2a6ead1f03f9ac73052f80d9f58e3d Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 30 Oct 2024 10:48:55 +0100 Subject: [PATCH 24/87] Apply suggestions from code review --- CHANGELOG.md | 2 +- nextflow_schema.json | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 77b15c09..f46adf9c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,7 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` -- [#708](https://github.com/nf-core/mag/pull/708) - Added `dev-exclude-unbinned` parameter to exclude unbinned contigs from post-binning processes (added by @dialvarezs) +- [#708](https://github.com/nf-core/mag/pull/708) - Added `--exclude_unbins_from_postbinning` parameter to exclude unbinned contigs from post-binning processes, speeding up Prokka in some cases (added by @dialvarezs) ### `Changed` diff --git a/nextflow_schema.json b/nextflow_schema.json index 923306e5..0875606d 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -708,7 +708,7 @@ "exclude_unbins_from_postbinning": { "type": "boolean", "description": "Exclude unbinned contigs in the post-binning steps (bin QC, taxonomic classification, and annotation steps).", - "help": "If you're not interested in assemblies results that are not considered 'genome level', excluding unbinned contigs can greatly speed up downstream steps such as Prokka, that can be quite slow and spin up many tasks.", + "help": "If you're not interested in assemby results that are not considered 'genome level', excluding unbinned contigs can greatly speed up downstream steps such as Prokka, that can be quite slow and spin up many tasks.", "default": false } } From 76dac5cecb8c17d779a6e7a28ec08399440b7a58 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 31 Oct 2024 17:26:39 -0300 Subject: [PATCH 25/87] Bin QC workflow --- subworkflows/local/bin_qc.nf | 122 ++++++++++++++++++++++++++++++++ subworkflows/local/checkm_qc.nf | 54 -------------- workflows/mag.nf | 64 ++++------------- 3 files changed, 137 insertions(+), 103 deletions(-) create mode 100644 subworkflows/local/bin_qc.nf delete mode 100644 subworkflows/local/checkm_qc.nf diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf new file mode 100644 index 00000000..25387af9 --- /dev/null +++ b/subworkflows/local/bin_qc.nf @@ -0,0 +1,122 @@ +/* + * BUSCO/CheckM/CheckM2: Quantitative measures for the assessment of genome assembly + */ + +include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' +include { BUSCO } from '../../modules/local/busco' +include { BUSCO_SAVE_DOWNLOAD } from '../../modules/local/busco_save_download' +include { BUSCO_SUMMARY } from '../../modules/local/busco_summary' +include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' +include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' +include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' +include { COMBINE_TSV } from '../../modules/local/combine_tsv' + +workflow BIN_QC { + take: + bins // channel: [ val(meta), path(bin) ] + checkm_db + checkm2_db + busco_db + + main: + ch_versions = Channel.empty() + + if (params.binqc_tool == "busco") { + // BUSCO workflow + if (!busco_db.isEmpty()) { + if (busco_db.extension in ['gz', 'tgz']) { + // Expects to be tar.gz! + BUSCO_DB_PREPARATION(busco_db) + ch_db_for_busco = BUSCO_DB_PREPARATION.out.db.map { meta, db -> + [[id: meta, lineage: 'Y'], db] + } + } + else if (busco_db.isDirectory()) { + // Set meta to match expected channel cardinality for BUSCO + ch_db_for_busco = Channel + .of(busco_db) + .map { db -> + def basename = db.getBaseName() + def lineage = basename.contains('odb10') ? 'Y' : 'N' + [[id: basename, lineage: lineage], db] + } + .collect() + } + } + else { + // Set BUSCO database to empty to allow for --auto-lineage + ch_db_for_busco = Channel + .of([]) + .map { empty_db -> [[lineage: ''], []] } + .collect() + } + + if (params.save_busco_db) { + // publish files downloaded by Busco + ch_downloads = BUSCO.out.busco_downloads + .groupTuple() + .map { lin, downloads -> downloads[0] } + .toSortedList() + .flatten() + BUSCO_SAVE_DOWNLOAD(ch_downloads) + } + + BUSCO(bins, ch_db_for_busco) + + // busco_summary_domain = BUSCO.out.summary_domain.collect() + // busco_summary_specific = BUSCO.out.summary_specific.collect() + // busco_failed_bin = BUSCO.out.failed_bin.collect() + + BUSCO_SUMMARY( + BUSCO.out.summary_domain.map { it[1] }.collect().ifEmpty([]), + BUSCO.out.summary_specific.map { it[1] }.collect().ifEmpty([]), + BUSCO.out.failed_bin.map { it[1] }.collect().ifEmpty([]) + ) + + multiqc_reports = BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map{ it[1] } + summary = BUSCO_SUMMARY.out.summary + ch_versions = ch_versions.mix(BUSCO.out.versions.first()) + } + else if (params.binqc_tool == "checkm") { + // CheckM workflow + ch_bins_for_checkmlineagewf = bins + .filter { meta, bin -> + meta.domain != "eukarya" + } + .multiMap { meta, fa -> + reads: [meta, fa] + ext: fa.extension.unique().join("") + } + + CHECKM_LINEAGEWF(ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db) + ch_versions = ch_versions.mix(CHECKM_LINEAGEWF.out.versions.first()) + + ch_checkmqa_input = CHECKM_LINEAGEWF.out.checkm_output + .join(CHECKM_LINEAGEWF.out.marker_file) + .map { meta, dir, marker -> + [meta, dir, marker, []] + } + + CHECKM_QA(ch_checkmqa_input, []) + + COMBINE_TSV(CHECKM_QA.out.output.map { it[1] }.collect()) + + summary = COMBINE_TSV.out.combined + ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) + } + else if (params.binqc_tool == "checkm2") { + // CheckM2 workflow + CHECKM2_PREDICT(bins, checkm2_db) + + COMBINE_TSV(CHECKM2_PREDICT.out.checkm2_tsv.map { it[1] }.collect()) + + summary = COMBINE_TSV.out.combined + ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) + } + + emit: + summary = summary + checkm_tsv = params.binqc_tool == "checkm" ? CHECKM_QA.out.output : [] + multiqc = params.binqc_tool == "busco" ? multiqc_reports : [] + versions = ch_versions +} diff --git a/subworkflows/local/checkm_qc.nf b/subworkflows/local/checkm_qc.nf deleted file mode 100644 index 73183d2d..00000000 --- a/subworkflows/local/checkm_qc.nf +++ /dev/null @@ -1,54 +0,0 @@ -/* - * CheckM/CheckM2: Quantitative measures for the assessment of genome assembly - */ - -include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' -include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' -include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' -include { COMBINE_TSV as COMBINE_CHECKM_TSV } from '../../modules/local/combine_tsv' - -workflow CHECKM_QC { - take: - bins // channel: [ val(meta), path(bin) ] - checkm_db - checkm2_db - - main: - ch_versions = Channel.empty() - - if (params.binqc_tool == "checkm") { - ch_bins_for_checkmlineagewf = bins.multiMap { - meta, fa -> - reads: [ meta, fa ] - ext: fa.extension.unique().join("") // we set this in the pipeline to always `.fa` so this should be fine - } - - CHECKM_LINEAGEWF(ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db) - ch_versions = ch_versions.mix(CHECKM_LINEAGEWF.out.versions.first()) - - ch_checkmqa_input = CHECKM_LINEAGEWF.out.checkm_output - .join(CHECKM_LINEAGEWF.out.marker_file) - .map{ - meta, dir, marker -> - [ meta, dir, marker, []] - } - - CHECKM_QA ( ch_checkmqa_input, [] ) - - ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) - - COMBINE_CHECKM_TSV(CHECKM_QA.out.output.map{it[1]}.collect()) - } - if (params.binqc_tool == "checkm2") { - CHECKM2_PREDICT(bins, checkm2_db) - - ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) - - COMBINE_CHECKM_TSV(CHECKM2_PREDICT.out.checkm2_tsv.map{it[1]}.collect()) - } - - emit: - summary = COMBINE_CHECKM_TSV.out.combined - checkm_tsv = params.binqc_tool == "checkm" ? CHECKM_QA.out.output : [] - versions = ch_versions -} diff --git a/workflows/mag.nf b/workflows/mag.nf index 8d993340..0b0b1936 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -14,10 +14,9 @@ include { methodsDescriptionText } from '../subwo // include { BINNING_PREPARATION } from '../subworkflows/local/binning_preparation' include { BINNING } from '../subworkflows/local/binning' +include { BIN_QC } from '../subworkflows/local/bin_qc' include { BINNING_REFINEMENT } from '../subworkflows/local/binning_refinement' -include { BUSCO_QC } from '../subworkflows/local/busco_qc' include { VIRUS_IDENTIFICATION } from '../subworkflows/local/virus_identification' -include { CHECKM_QC } from '../subworkflows/local/checkm_qc' include { GUNC_QC } from '../subworkflows/local/gunc_qc' include { GTDBTK } from '../subworkflows/local/gtdbtk' include { ANCIENT_DNA_ASSEMBLY_VALIDATION } from '../subworkflows/local/ancient_dna' @@ -185,11 +184,7 @@ workflow MAG { ch_metaeuk_db = Channel.empty() } - // Additional info for completion email and summary - def busco_failed_bins = [:] - // Get checkM database if not supplied - if (!params.skip_binqc && params.binqc_tool == 'checkm' && !params.checkm_db) { ARIA2_UNTAR(params.checkm_download_url) ch_checkm_db = ARIA2_UNTAR.out.downloaded_file @@ -797,55 +792,26 @@ workflow MAG { ch_input_bins_for_qc = ch_input_for_postbinning_bins_unbins.transpose() - if (!params.skip_binqc && params.binqc_tool == 'busco') { - /* - * BUSCO subworkflow: Quantitative measures for the assessment of genome assembly - */ - - BUSCO_QC( - ch_busco_db, - ch_input_bins_for_qc - ) - ch_busco_summary = BUSCO_QC.out.summary - ch_versions = ch_versions.mix(BUSCO_QC.out.versions.first()) - // process information if BUSCO analysis failed for individual bins due to no matching genes - BUSCO_QC.out.failed_bin - .splitCsv(sep: '\t') - .map { bin, error -> - if (!bin.contains(".unbinned.")) { - busco_failed_bins[bin] = error - } - } - } + BIN_QC( + ch_input_bins_for_qc, + ch_checkm_db, + ch_checkm2_db, + ch_busco_db + ) - if (!params.skip_binqc && params.binqc_tool in ['checkm', 'checkm2']) { - /* - * CheckM/CheckM2 subworkflow: Quantitative measures for the assessment of genome assembly - */ + ch_versions = ch_versions.mix(BIN_QC.out.versions) - ch_input_bins_for_checkm = ch_input_bins_for_qc.filter { meta, bins -> + if (params.run_gunc) { + ch_input_bins_for_gunc = ch_input_for_postbinning_bins_unbins.filter { meta, bins -> meta.domain != "eukarya" } - CHECKM_QC( - ch_input_bins_for_checkm.groupTuple(), - ch_checkm_db, - ch_checkm2_db + GUNC_QC( + ch_input_bins_for_gunc, + ch_gunc_db, + params.binqc_tool == 'checkm' ? BIN_QC.out.checkm_tsv : [] ) - ch_checkm_summary = CHECKM_QC.out.summary - - ch_versions = ch_versions.mix(CHECKM_QC.out.versions) - } - if (params.run_gunc && params.binqc_tool == 'checkm') { - GUNC_QC(ch_input_bins_for_checkm, ch_gunc_db, CHECKM_QC.out.checkm_tsv) - ch_versions = ch_versions.mix(GUNC_QC.out.versions) - } - else if (params.run_gunc) { - ch_input_bins_for_gunc = ch_input_for_postbinning_bins_unbins.filter { meta, bins -> - meta.domain != "eukarya" - } - GUNC_QC(ch_input_bins_for_qc, ch_gunc_db, []) ch_versions = ch_versions.mix(GUNC_QC.out.versions) } @@ -1075,7 +1041,7 @@ workflow MAG { } if (!params.skip_binning && !params.skip_binqc && params.binqc_tool == 'busco') { - ch_multiqc_files = ch_multiqc_files.mix(BUSCO_QC.out.multiqc.collect().ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(BIN_QC.out.multiqc.collect().ifEmpty([])) } From 38ce756067fabc1cc9a1e7b32ca6a81a06e1dec3 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 31 Oct 2024 17:40:04 -0300 Subject: [PATCH 26/87] Cleanup --- subworkflows/local/bin_qc.nf | 10 ++-- subworkflows/local/busco_qc.nf | 83 ---------------------------------- subworkflows/local/gtdbtk.nf | 7 ++- workflows/mag.nf | 12 ++--- 4 files changed, 11 insertions(+), 101 deletions(-) delete mode 100644 subworkflows/local/busco_qc.nf diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index 25387af9..4aa9b50a 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -47,7 +47,7 @@ workflow BIN_QC { // Set BUSCO database to empty to allow for --auto-lineage ch_db_for_busco = Channel .of([]) - .map { empty_db -> [[lineage: ''], []] } + .map { _empty_db -> [[lineage: ''], []] } .collect() } @@ -55,7 +55,7 @@ workflow BIN_QC { // publish files downloaded by Busco ch_downloads = BUSCO.out.busco_downloads .groupTuple() - .map { lin, downloads -> downloads[0] } + .map { _lin, downloads -> downloads[0] } .toSortedList() .flatten() BUSCO_SAVE_DOWNLOAD(ch_downloads) @@ -63,10 +63,6 @@ workflow BIN_QC { BUSCO(bins, ch_db_for_busco) - // busco_summary_domain = BUSCO.out.summary_domain.collect() - // busco_summary_specific = BUSCO.out.summary_specific.collect() - // busco_failed_bin = BUSCO.out.failed_bin.collect() - BUSCO_SUMMARY( BUSCO.out.summary_domain.map { it[1] }.collect().ifEmpty([]), BUSCO.out.summary_specific.map { it[1] }.collect().ifEmpty([]), @@ -80,7 +76,7 @@ workflow BIN_QC { else if (params.binqc_tool == "checkm") { // CheckM workflow ch_bins_for_checkmlineagewf = bins - .filter { meta, bin -> + .filter { meta, _bins -> meta.domain != "eukarya" } .multiMap { meta, fa -> diff --git a/subworkflows/local/busco_qc.nf b/subworkflows/local/busco_qc.nf deleted file mode 100644 index a5c3be8d..00000000 --- a/subworkflows/local/busco_qc.nf +++ /dev/null @@ -1,83 +0,0 @@ -/* - * BUSCO: Quantitative measures for the assessment of genome assembly - */ - -include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' -include { BUSCO } from '../../modules/local/busco' -include { BUSCO_SAVE_DOWNLOAD } from '../../modules/local/busco_save_download' -include { BUSCO_SUMMARY } from '../../modules/local/busco_summary' - -workflow BUSCO_QC { - take: - busco_db // channel: path - bins // channel: [ val(meta), path(bin) ] - - main: - if ( !busco_db.isEmpty() ) { - if ( busco_db.extension in ['gz', 'tgz'] ) { - // Expects to be tar.gz! - ch_db_for_busco = BUSCO_DB_PREPARATION ( busco_db ).db - .map{ - meta, db -> - def meta_new = [:] - meta_new['id'] = meta - meta_new['lineage'] = 'Y' - [ meta_new, db ] - } - } else if ( busco_db.isDirectory() ) { - // Set meta to match expected channel cardinality for BUSCO - ch_db_for_busco = Channel - .of(busco_db) - .map{ - db -> - def meta = [:] - meta['id'] = db.getBaseName() - if ( meta['id'].contains('odb10') == true ) { - meta['lineage'] = 'Y' - } else { - meta['lineage'] = 'N' - } - [ meta, db ] - } - .collect() - } - } else { - // Set BUSCO database to empty to allow for --auto-lineage - ch_db_for_busco = Channel - .of([]) - .map{ - empty_db -> - def meta = [:] - meta['lineage'] = '' - [ meta, [] ] - } - .collect() - } - - BUSCO ( - bins, - ch_db_for_busco - ) - - if (params.save_busco_db){ - // publish files downloaded by Busco - ch_downloads = BUSCO.out.busco_downloads.groupTuple().map{lin,downloads -> downloads[0]}.toSortedList().flatten() - BUSCO_SAVE_DOWNLOAD ( ch_downloads ) - } - - busco_summary_domain = BUSCO.out.summary_domain.collect() - busco_summary_specific = BUSCO.out.summary_specific.collect() - busco_failed_bin = BUSCO.out.failed_bin.collect() - - BUSCO_SUMMARY ( - BUSCO.out.summary_domain.map{it[1]}.collect().ifEmpty([]), - BUSCO.out.summary_specific.map{it[1]}.collect().ifEmpty([]), - BUSCO.out.failed_bin.map{it[1]}.collect().ifEmpty([]) - ) - - emit: - summary = BUSCO_SUMMARY.out.summary - failed_bin = BUSCO.out.failed_bin.map{it[1]} - multiqc = BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map{it[1]} - versions = BUSCO.out.versions -} diff --git a/subworkflows/local/gtdbtk.nf b/subworkflows/local/gtdbtk.nf index 83af9e24..e2ee580b 100644 --- a/subworkflows/local/gtdbtk.nf +++ b/subworkflows/local/gtdbtk.nf @@ -9,8 +9,7 @@ include { GTDBTK_SUMMARY } from '../../modules/local/gtdbtk_summary' workflow GTDBTK { take: bins // channel: [ val(meta), [bins] ] - busco_summary // channel: path - checkm_summary // channel: path + bin_qc_summary // channel: path gtdb // channel: path gtdb_mash // channel: path @@ -19,7 +18,7 @@ workflow GTDBTK { ch_bin_metrics = Channel.empty() if ( params.binqc_tool == 'busco' ){ // Collect completeness and contamination metrics from busco summary - ch_bin_metrics = busco_summary + ch_bin_metrics = bin_qc_summary .splitCsv(header: true, sep: '\t') .map { row -> def completeness = -1 @@ -41,7 +40,7 @@ workflow GTDBTK { // Collect completeness and contamination metrics from CheckM/CheckM2 summary bin_name = params.binqc_tool == 'checkm' ? 'Bin Id' : 'Name' - ch_bin_metrics = checkm_summary + ch_bin_metrics = bin_qc_summary .splitCsv(header: true, sep: '\t') .map { row -> def completeness = Double.parseDouble(row.'Completeness') diff --git a/workflows/mag.nf b/workflows/mag.nf index 04b9af8f..3def8207 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -649,9 +649,7 @@ workflow MAG { ================================================================================ */ - ch_busco_summary = Channel.empty() - ch_checkm_summary = Channel.empty() - ch_checkm2_summary = Channel.empty() + bin_qc_summary = Channel.empty() if (!params.skip_binning || params.ancient_dna) { BINNING_PREPARATION( @@ -803,10 +801,11 @@ workflow MAG { ch_busco_db ) + bin_qc_summary = BIN_QC.out.summary ch_versions = ch_versions.mix(BIN_QC.out.versions) if (params.run_gunc) { - ch_input_bins_for_gunc = ch_input_for_postbinning.filter { meta, bins -> + ch_input_bins_for_gunc = ch_input_for_postbinning.filter { meta, _bins -> meta.domain != "eukarya" } @@ -887,8 +886,7 @@ workflow MAG { GTDBTK( ch_gtdb_bins, - ch_busco_summary, - ch_checkm_summary, + bin_qc_summary, gtdb, gtdb_mash ) @@ -903,7 +901,7 @@ workflow MAG { if ((!params.skip_binqc) || !params.skip_quast || !params.skip_gtdbtk) { BIN_SUMMARY( ch_input_for_binsummary, - params.binqc_tool == "busco" ? ch_busco_summary.ifEmpty([]) : ch_checkm_summary.ifEmpty([]), + bin_qc_summary.ifEmpty([]), ch_quast_bins_summary.ifEmpty([]), ch_gtdbtk_summary.ifEmpty([]), ch_cat_global_summary.ifEmpty([]) From 3702329954625e8beafb2a9de9c25545feac0554 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 31 Oct 2024 18:22:22 -0300 Subject: [PATCH 27/87] Final touches --- conf/modules.config | 4 ++-- subworkflows/local/bin_qc.nf | 36 ++++++++++++++++++++---------------- 2 files changed, 22 insertions(+), 18 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index b0a58c42..63e66adf 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -368,8 +368,8 @@ process { ] } - withName: COMBINE_CHECKM_TSV { - ext.prefix = { params.binqc_tool == "checkm" ? "checkm_summary" : "checkm2_summary" } + withName: COMBINE_BINQC_TSV { + ext.prefix = { "${params.binqc_tool}_summary" } publishDir = [ path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index 4aa9b50a..e7f7d3fb 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -2,14 +2,14 @@ * BUSCO/CheckM/CheckM2: Quantitative measures for the assessment of genome assembly */ -include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' -include { BUSCO } from '../../modules/local/busco' -include { BUSCO_SAVE_DOWNLOAD } from '../../modules/local/busco_save_download' -include { BUSCO_SUMMARY } from '../../modules/local/busco_summary' -include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' -include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' -include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' -include { COMBINE_TSV } from '../../modules/local/combine_tsv' +include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' +include { BUSCO } from '../../modules/local/busco' +include { BUSCO_SAVE_DOWNLOAD } from '../../modules/local/busco_save_download' +include { BUSCO_SUMMARY } from '../../modules/local/busco_summary' +include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' +include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' +include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' +include { COMBINE_TSV as COMBINE_BINQC_TSV } from '../../modules/local/combine_tsv' workflow BIN_QC { take: @@ -20,6 +20,8 @@ workflow BIN_QC { main: ch_versions = Channel.empty() + multiqc_reports = [] + checkm_tsv = [] if (params.binqc_tool == "busco") { // BUSCO workflow @@ -76,12 +78,13 @@ workflow BIN_QC { else if (params.binqc_tool == "checkm") { // CheckM workflow ch_bins_for_checkmlineagewf = bins + .groupTuple() .filter { meta, _bins -> meta.domain != "eukarya" } .multiMap { meta, fa -> reads: [meta, fa] - ext: fa.extension.unique().join("") + ext: fa.extension.unique().join("") // the pipeline ensures that all bins will have the same extension } CHECKM_LINEAGEWF(ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db) @@ -95,24 +98,25 @@ workflow BIN_QC { CHECKM_QA(ch_checkmqa_input, []) - COMBINE_TSV(CHECKM_QA.out.output.map { it[1] }.collect()) + COMBINE_BINQC_TSV(CHECKM_QA.out.output.map { it[1] }.collect()) - summary = COMBINE_TSV.out.combined + summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) + checkm_tsv = CHECKM_QA.out.output } else if (params.binqc_tool == "checkm2") { // CheckM2 workflow - CHECKM2_PREDICT(bins, checkm2_db) + CHECKM2_PREDICT(bins.groupTuple(), checkm2_db) - COMBINE_TSV(CHECKM2_PREDICT.out.checkm2_tsv.map { it[1] }.collect()) + COMBINE_BINQC_TSV(CHECKM2_PREDICT.out.checkm2_tsv.map { it[1] }.collect()) - summary = COMBINE_TSV.out.combined + summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) } emit: summary = summary - checkm_tsv = params.binqc_tool == "checkm" ? CHECKM_QA.out.output : [] - multiqc = params.binqc_tool == "busco" ? multiqc_reports : [] + checkm_tsv = checkm_tsv + multiqc = multiqc_reports versions = ch_versions } From 0eb167a29d2a4dcb50ff297e7f5f3eb8e7b98265 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Fri, 1 Nov 2024 01:13:19 -0300 Subject: [PATCH 28/87] Integrate GUNC in BIN_QC subworkflow --- CHANGELOG.md | 11 ++-- nextflow.config | 2 +- subworkflows/local/bin_qc.nf | 114 +++++++++++++++++++++++++--------- subworkflows/local/gunc_qc.nf | 51 --------------- workflows/mag.nf | 32 +++------- 5 files changed, 99 insertions(+), 111 deletions(-) delete mode 100644 subworkflows/local/gunc_qc.nf diff --git a/CHANGELOG.md b/CHANGELOG.md index 75f0332b..cdbf60d0 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [#707](https://github.com/nf-core/mag/pull/707) - Make Bin QC a subworkflow (added by @dialvarezs) - [#707](https://github.com/nf-core/mag/pull/707) - Added CheckM2 as an alternative bin completeness and QC tool (added by @dialvarezs) - [#708](https://github.com/nf-core/mag/pull/708) - Added `--exclude_unbins_from_postbinning` parameter to exclude unbinned contigs from post-binning processes, speeding up Prokka in some cases (added by @dialvarezs) @@ -14,10 +15,14 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` -- [#708](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) +- [#707](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) ### `Dependencies` +| Tool | Previous version | New version | +| ------- | ---------------- | ----------- | +| CheckM2 | | 1.0.2 | + ### `Deprecated` ## 3.2.1 [2024-10-30] @@ -32,10 +37,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Dependencies` -| Tool | Previous version | New version | -| ------- | ---------------- | ----------- | -| CheckM2 | | 1.0.2 | - ### `Deprecated` ## 3.2.0 [2024-10-27] diff --git a/nextflow.config b/nextflow.config index ad7448fb..e35d2914 100644 --- a/nextflow.config +++ b/nextflow.config @@ -121,7 +121,7 @@ params { refine_bins_dastool = false refine_bins_dastool_threshold = 0.5 postbinning_input = 'raw_bins_only' - exclude_unbins_from_postbinning = false + exclude_unbins_from_postbinning = false // Bin QC skip_binqc = false diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index e7f7d3fb..b2f78e7b 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -1,5 +1,5 @@ /* - * BUSCO/CheckM/CheckM2: Quantitative measures for the assessment of genome assembly + * BUSCO/CheckM/CheckM2/GUNC: Quantitative measures for the assessment of genome assembly */ include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' @@ -10,33 +10,42 @@ include { CHECKM_QA } from '../../modules/nf-core/checkm include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' include { COMBINE_TSV as COMBINE_BINQC_TSV } from '../../modules/local/combine_tsv' +include { GUNC_DOWNLOADDB } from '../../modules/nf-core/gunc/downloaddb/main' +include { GUNC_RUN } from '../../modules/nf-core/gunc/run/main' +include { GUNC_MERGECHECKM } from '../../modules/nf-core/gunc/mergecheckm/main' + workflow BIN_QC { take: - bins // channel: [ val(meta), path(bin) ] - checkm_db - checkm2_db - busco_db + ch_bins // [ [ meta] , fasta ], input bins (mandatory) + ch_checkm_db // [ db ], presupplied CheckM database (optional) + ch_checkm2_db // [ [meta] , db ], presupplied CheckM2 database (optional) + ch_busco_db // [ [meta] , db ], presupplied BUSCO database (optional) + ch_gunc_db // [ db ], presupplied GUNC database (optional) main: + qc_summary = [] + ch_input_bins_for_qc = ch_bins.transpose() ch_versions = Channel.empty() - multiqc_reports = [] - checkm_tsv = [] + ch_multiqc_files = Channel.empty() + if (params.binqc_tool == "busco") { - // BUSCO workflow - if (!busco_db.isEmpty()) { - if (busco_db.extension in ['gz', 'tgz']) { + /* + * BUSCO + */ + if (!ch_busco_db.isEmpty()) { + if (ch_busco_db.extension in ['gz', 'tgz']) { // Expects to be tar.gz! - BUSCO_DB_PREPARATION(busco_db) + BUSCO_DB_PREPARATION(ch_busco_db) ch_db_for_busco = BUSCO_DB_PREPARATION.out.db.map { meta, db -> [[id: meta, lineage: 'Y'], db] } } - else if (busco_db.isDirectory()) { + else if (ch_busco_db.isDirectory()) { // Set meta to match expected channel cardinality for BUSCO ch_db_for_busco = Channel - .of(busco_db) + .of(ch_busco_db) .map { db -> def basename = db.getBaseName() def lineage = basename.contains('odb10') ? 'Y' : 'N' @@ -48,8 +57,7 @@ workflow BIN_QC { else { // Set BUSCO database to empty to allow for --auto-lineage ch_db_for_busco = Channel - .of([]) - .map { _empty_db -> [[lineage: ''], []] } + .of([[lineage: ''], []]) .collect() } @@ -63,7 +71,7 @@ workflow BIN_QC { BUSCO_SAVE_DOWNLOAD(ch_downloads) } - BUSCO(bins, ch_db_for_busco) + BUSCO(ch_input_bins_for_qc, ch_db_for_busco) BUSCO_SUMMARY( BUSCO.out.summary_domain.map { it[1] }.collect().ifEmpty([]), @@ -71,13 +79,17 @@ workflow BIN_QC { BUSCO.out.failed_bin.map { it[1] }.collect().ifEmpty([]) ) - multiqc_reports = BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map{ it[1] } - summary = BUSCO_SUMMARY.out.summary + ch_multiqc_files = ch_multiqc_files.mix( + BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map{ it[1] } + ) + qc_summary = BUSCO_SUMMARY.out.summary ch_versions = ch_versions.mix(BUSCO.out.versions.first()) } else if (params.binqc_tool == "checkm") { - // CheckM workflow - ch_bins_for_checkmlineagewf = bins + /* + * CheckM + */ + ch_bins_for_checkmlineagewf = ch_input_bins_for_qc .groupTuple() .filter { meta, _bins -> meta.domain != "eukarya" @@ -87,7 +99,7 @@ workflow BIN_QC { ext: fa.extension.unique().join("") // the pipeline ensures that all bins will have the same extension } - CHECKM_LINEAGEWF(ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, checkm_db) + CHECKM_LINEAGEWF(ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, ch_checkm_db) ch_versions = ch_versions.mix(CHECKM_LINEAGEWF.out.versions.first()) ch_checkmqa_input = CHECKM_LINEAGEWF.out.checkm_output @@ -100,23 +112,65 @@ workflow BIN_QC { COMBINE_BINQC_TSV(CHECKM_QA.out.output.map { it[1] }.collect()) - summary = COMBINE_BINQC_TSV.out.combined + qc_summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) - checkm_tsv = CHECKM_QA.out.output } else if (params.binqc_tool == "checkm2") { - // CheckM2 workflow - CHECKM2_PREDICT(bins.groupTuple(), checkm2_db) + /* + * CheckM2 + */ + CHECKM2_PREDICT(ch_input_bins_for_qc.groupTuple(), ch_checkm2_db) COMBINE_BINQC_TSV(CHECKM2_PREDICT.out.checkm2_tsv.map { it[1] }.collect()) - summary = COMBINE_BINQC_TSV.out.combined + qc_summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) } + if (params.run_gunc) { + /* + * GUNC + */ + ch_input_bins_for_gunc = ch_bins + .filter { meta, _bins -> + meta.domain != "eukarya" + } + .flatMap { meta, bins -> + bins.collect { bin -> [meta, bin] } + } + + if ( params.gunc_db ) { + ch_db_for_gunc = ch_gunc_db + } + else { + ch_db_for_gunc = GUNC_DOWNLOADDB(params.gunc_database_type).db + ch_versions.mix(GUNC_DOWNLOADDB.out.versions) + } + + GUNC_RUN(ch_input_bins_for_gunc, ch_db_for_gunc) + ch_versions.mix(GUNC_RUN.out.versions) + + // Make sure to keep directory in sync with modules.conf + GUNC_RUN.out.maxcss_level_tsv + .map{it[1]} + .collectFile(name: "gunc_summary.tsv", keepHeader: true, storeDir: "${params.outdir}/GenomeBinning/QC/") + + if ( params.binqc_tool == 'checkm' ) { + ch_input_to_mergecheckm = GUNC_RUN.out.maxcss_level_tsv.combine(CHECKM_QA.out.output, by: 0) + + GUNC_MERGECHECKM(ch_input_to_mergecheckm) + ch_versions.mix(GUNC_MERGECHECKM.out.versions) + + // Make sure to keep directory in sync with modules.conf + GUNC_MERGECHECKM.out.tsv + .map{it[1]} + .collectFile(name: "gunc_checkm_summary.tsv", keepHeader: true, storeDir: "${params.outdir}/GenomeBinning/QC/") + } + } + + emit: - summary = summary - checkm_tsv = checkm_tsv - multiqc = multiqc_reports - versions = ch_versions + qc_summary = qc_summary + multiqc_files = ch_multiqc_files + versions = ch_versions } diff --git a/subworkflows/local/gunc_qc.nf b/subworkflows/local/gunc_qc.nf deleted file mode 100644 index 912b9425..00000000 --- a/subworkflows/local/gunc_qc.nf +++ /dev/null @@ -1,51 +0,0 @@ -/* - * GUNC: Detection and quantification of genome chimerism based on lineage homogeneity - */ - -include { GUNC_DOWNLOADDB } from '../../modules/nf-core/gunc/downloaddb/main' -include { GUNC_RUN } from '../../modules/nf-core/gunc/run/main' -include { GUNC_MERGECHECKM } from '../../modules/nf-core/gunc/mergecheckm/main' - -workflow GUNC_QC { - take: - ch_bins // [ [ meta] , fasta ], input bins (mandatory) - ch_gunc_db // [ db ], presupplied GUNC database (optional) - ch_checkm_table // [ [ meta ], checkm_qa_table ], extended checkm table from CHECKM_QA, (optional) - - main: - ch_versions = Channel.empty() - - if ( params.gunc_db ) { - ch_db_for_gunc = ch_gunc_db - } else { - ch_db_for_gunc = GUNC_DOWNLOADDB( params.gunc_database_type ).db - ch_versions.mix( GUNC_DOWNLOADDB.out.versions ) - } - - - GUNC_RUN ( ch_bins, ch_db_for_gunc ) - ch_versions.mix( GUNC_RUN.out.versions ) - - // Make sure to keep directory in sync with modules.conf - GUNC_RUN.out.maxcss_level_tsv - .map{it[1]} - .collectFile(name: "gunc_summary.tsv", keepHeader: true, storeDir: "${params.outdir}/GenomeBinning/QC/") - - if ( params.binqc_tool == 'checkm' ) { - - ch_input_to_mergecheckm = GUNC_RUN.out.maxcss_level_tsv - .combine(ch_checkm_table, by: 0) - - GUNC_MERGECHECKM ( ch_input_to_mergecheckm ) - ch_versions.mix( GUNC_MERGECHECKM.out.versions ) - - // Make sure to keep directory in sync with modules.conf - GUNC_MERGECHECKM.out.tsv - .map{it[1]} - .collectFile(name: "gunc_checkm_summary.tsv", keepHeader: true, storeDir: "${params.outdir}/GenomeBinning/QC/") - } - - emit: - versions = ch_versions - -} diff --git a/workflows/mag.nf b/workflows/mag.nf index 3def8207..760f993f 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -17,7 +17,6 @@ include { BINNING } from '../subwo include { BIN_QC } from '../subworkflows/local/bin_qc' include { BINNING_REFINEMENT } from '../subworkflows/local/binning_refinement' include { VIRUS_IDENTIFICATION } from '../subworkflows/local/virus_identification' -include { GUNC_QC } from '../subworkflows/local/gunc_qc' include { GTDBTK } from '../subworkflows/local/gtdbtk' include { ANCIENT_DNA_ASSEMBLY_VALIDATION } from '../subworkflows/local/ancient_dna' include { DOMAIN_CLASSIFICATION } from '../subworkflows/local/domain_classification' @@ -649,7 +648,7 @@ workflow MAG { ================================================================================ */ - bin_qc_summary = Channel.empty() + ch_bin_qc_summary = Channel.empty() if (!params.skip_binning || params.ancient_dna) { BINNING_PREPARATION( @@ -792,32 +791,17 @@ workflow MAG { * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM, CHECKM2, and/or GUNC */ - ch_input_bins_for_qc = ch_input_for_postbinning.transpose() - BIN_QC( - ch_input_bins_for_qc, + ch_input_for_postbinning, ch_checkm_db, ch_checkm2_db, - ch_busco_db + ch_busco_db, + ch_gunc_db ) - bin_qc_summary = BIN_QC.out.summary + ch_bin_qc_summary = BIN_QC.out.qc_summary ch_versions = ch_versions.mix(BIN_QC.out.versions) - if (params.run_gunc) { - ch_input_bins_for_gunc = ch_input_for_postbinning.filter { meta, _bins -> - meta.domain != "eukarya" - } - - GUNC_QC( - ch_input_bins_for_gunc, - ch_gunc_db, - params.binqc_tool == 'checkm' ? BIN_QC.out.checkm_tsv : [] - ) - - ch_versions = ch_versions.mix(GUNC_QC.out.versions) - } - ch_quast_bins_summary = Channel.empty() if (!params.skip_quast) { ch_input_for_quast_bins = ch_input_for_postbinning @@ -886,7 +870,7 @@ workflow MAG { GTDBTK( ch_gtdb_bins, - bin_qc_summary, + ch_bin_qc_summary, gtdb, gtdb_mash ) @@ -901,7 +885,7 @@ workflow MAG { if ((!params.skip_binqc) || !params.skip_quast || !params.skip_gtdbtk) { BIN_SUMMARY( ch_input_for_binsummary, - bin_qc_summary.ifEmpty([]), + ch_bin_qc_summary.ifEmpty([]), ch_quast_bins_summary.ifEmpty([]), ch_gtdbtk_summary.ifEmpty([]), ch_cat_global_summary.ifEmpty([]) @@ -1043,7 +1027,7 @@ workflow MAG { } if (!params.skip_binning && !params.skip_binqc && params.binqc_tool == 'busco') { - ch_multiqc_files = ch_multiqc_files.mix(BIN_QC.out.multiqc.collect().ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(BIN_QC.out.multiqc_files.collect().ifEmpty([])) } From f0a6999bcd2eadfb26a5a38eb4de2438026ec083 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Fri, 1 Nov 2024 02:52:20 -0300 Subject: [PATCH 29/87] Code style improvements --- subworkflows/local/bin_qc.nf | 44 ++++++++++++++++++++---------------- 1 file changed, 25 insertions(+), 19 deletions(-) diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index b2f78e7b..c1b5ace6 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -46,12 +46,11 @@ workflow BIN_QC { // Set meta to match expected channel cardinality for BUSCO ch_db_for_busco = Channel .of(ch_busco_db) - .map { db -> + .collect { db -> def basename = db.getBaseName() def lineage = basename.contains('odb10') ? 'Y' : 'N' [[id: basename, lineage: lineage], db] } - .collect() } } else { @@ -74,13 +73,13 @@ workflow BIN_QC { BUSCO(ch_input_bins_for_qc, ch_db_for_busco) BUSCO_SUMMARY( - BUSCO.out.summary_domain.map { it[1] }.collect().ifEmpty([]), - BUSCO.out.summary_specific.map { it[1] }.collect().ifEmpty([]), - BUSCO.out.failed_bin.map { it[1] }.collect().ifEmpty([]) + BUSCO.out.summary_domain.collect { v -> v[1] }.ifEmpty([]), + BUSCO.out.summary_specific.collect { v -> v[1] }.ifEmpty([]), + BUSCO.out.failed_bin.collect { v -> v[1] }.ifEmpty([]) ) ch_multiqc_files = ch_multiqc_files.mix( - BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map{ it[1] } + BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map { it[1] } ) qc_summary = BUSCO_SUMMARY.out.summary ch_versions = ch_versions.mix(BUSCO.out.versions.first()) @@ -92,11 +91,11 @@ workflow BIN_QC { ch_bins_for_checkmlineagewf = ch_input_bins_for_qc .groupTuple() .filter { meta, _bins -> - meta.domain != "eukarya" - } + meta.domain != "eukarya" + } .multiMap { meta, fa -> reads: [meta, fa] - ext: fa.extension.unique().join("") // the pipeline ensures that all bins will have the same extension + ext: fa.extension.unique().join("") } CHECKM_LINEAGEWF(ch_bins_for_checkmlineagewf.reads, ch_bins_for_checkmlineagewf.ext, ch_checkm_db) @@ -110,7 +109,7 @@ workflow BIN_QC { CHECKM_QA(ch_checkmqa_input, []) - COMBINE_BINQC_TSV(CHECKM_QA.out.output.map { it[1] }.collect()) + COMBINE_BINQC_TSV(CHECKM_QA.out.output.collect { v -> v[1] }) qc_summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) @@ -121,7 +120,7 @@ workflow BIN_QC { */ CHECKM2_PREDICT(ch_input_bins_for_qc.groupTuple(), ch_checkm2_db) - COMBINE_BINQC_TSV(CHECKM2_PREDICT.out.checkm2_tsv.map { it[1] }.collect()) + COMBINE_BINQC_TSV(CHECKM2_PREDICT.out.checkm2_tsv.collect { v -> v[1] }) qc_summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) @@ -139,7 +138,7 @@ workflow BIN_QC { bins.collect { bin -> [meta, bin] } } - if ( params.gunc_db ) { + if (params.gunc_db) { ch_db_for_gunc = ch_gunc_db } else { @@ -152,10 +151,14 @@ workflow BIN_QC { // Make sure to keep directory in sync with modules.conf GUNC_RUN.out.maxcss_level_tsv - .map{it[1]} - .collectFile(name: "gunc_summary.tsv", keepHeader: true, storeDir: "${params.outdir}/GenomeBinning/QC/") - - if ( params.binqc_tool == 'checkm' ) { + .map { v -> v[1] } + .collectFile( + name: "gunc_summary.tsv", + keepHeader: true, + storeDir: "${params.outdir}/GenomeBinning/QC/" + ) + + if (params.binqc_tool == 'checkm') { ch_input_to_mergecheckm = GUNC_RUN.out.maxcss_level_tsv.combine(CHECKM_QA.out.output, by: 0) GUNC_MERGECHECKM(ch_input_to_mergecheckm) @@ -163,12 +166,15 @@ workflow BIN_QC { // Make sure to keep directory in sync with modules.conf GUNC_MERGECHECKM.out.tsv - .map{it[1]} - .collectFile(name: "gunc_checkm_summary.tsv", keepHeader: true, storeDir: "${params.outdir}/GenomeBinning/QC/") + .map { v -> v[1] } + .collectFile( + name: "gunc_checkm_summary.tsv", + keepHeader: true, + storeDir: "${params.outdir}/GenomeBinning/QC/" + ) } } - emit: qc_summary = qc_summary multiqc_files = ch_multiqc_files From cce1ada15adfc52e4a16966e04eb0ecadcb32f13 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 1 Nov 2024 08:15:27 +0100 Subject: [PATCH 30/87] Update chopper module. Pass on fasta file when invoking chopper process --- conf/modules.config | 5 +- modules.json | 2 +- modules/nf-core/chopper/environment.yml | 2 +- modules/nf-core/chopper/main.nf | 18 ++++- modules/nf-core/chopper/meta.yml | 4 + modules/nf-core/chopper/tests/main.nf.test | 74 +++++++++++++++++-- .../nf-core/chopper/tests/main.nf.test.snap | 60 +++++++++++++-- subworkflows/local/longread_preprocessing.nf | 7 +- workflows/mag.nf | 6 +- 9 files changed, 154 insertions(+), 24 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 0adc8846..f829be7b 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -245,9 +245,8 @@ process { withName: CHOPPER { ext.args2 = [ - !params.keep_lambda ? "--contam ${params.lambda_reference}": "", - params.longreads_min_quality ? "--quality ${params.longreads_min_quality}": "", - params.longreads_min_length ? "--minlength ${params.longreads_min_length}": "", + params.longreads_min_quality ? "--quality ${params.longreads_min_quality}": '', + params.longreads_min_length ? "--minlength ${params.longreads_min_length}": '' ].join(' ').trim() publishDir = [ [ diff --git a/modules.json b/modules.json index 99e6d2e2..967fa112 100644 --- a/modules.json +++ b/modules.json @@ -64,7 +64,7 @@ }, "chopper": { "branch": "master", - "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "git_sha": "22737835af2db3dd0d5b6b332e75e160d0199fae", "installed_by": ["modules"] }, "concoct/concoct": { diff --git a/modules/nf-core/chopper/environment.yml b/modules/nf-core/chopper/environment.yml index e80840e1..2195b5ed 100644 --- a/modules/nf-core/chopper/environment.yml +++ b/modules/nf-core/chopper/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - bioconda::chopper=0.3.0 + - bioconda::chopper=0.9.0 diff --git a/modules/nf-core/chopper/main.nf b/modules/nf-core/chopper/main.nf index 06f79849..6fc0b2d2 100644 --- a/modules/nf-core/chopper/main.nf +++ b/modules/nf-core/chopper/main.nf @@ -4,11 +4,12 @@ process CHOPPER { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/chopper:0.3.0--hd03093a_0': - 'biocontainers/chopper:0.3.0--hd03093a_0' }" + 'https://depot.galaxyproject.org/singularity/chopper:0.9.0--hdcf5f25_0': + 'biocontainers/chopper:0.9.0--hdcf5f25_0' }" input: tuple val(meta), path(fastq) + path fasta output: tuple val(meta), path("*.fastq.gz") , emit: fastq @@ -22,6 +23,7 @@ process CHOPPER { def args2 = task.ext.args2 ?: '' def args3 = task.ext.args3 ?: '' def prefix = task.ext.prefix ?: "${meta.id}" + def fasta_filtering = fasta ? "--contam ${fasta}" : "" if ("$fastq" == "${prefix}.fastq.gz") error "Input and output names are the same, set prefix in module configuration to disambiguate!" """ @@ -30,6 +32,7 @@ process CHOPPER { $fastq | \\ chopper \\ --threads $task.cpus \\ + $fasta_filtering \\ $args2 | \\ gzip \\ $args3 > ${prefix}.fastq.gz @@ -39,4 +42,15 @@ process CHOPPER { chopper: \$(chopper --version 2>&1 | cut -d ' ' -f 2) END_VERSIONS """ + + stub: + def prefix = task.ext.prefix ?: "${meta.id}" + """ + echo | gzip > ${prefix}.fastq.gz + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + chopper: \$(chopper --version 2>&1 | cut -d ' ' -f 2) + END_VERSIONS + """ } diff --git a/modules/nf-core/chopper/meta.yml b/modules/nf-core/chopper/meta.yml index 916c865e..049cf62d 100644 --- a/modules/nf-core/chopper/meta.yml +++ b/modules/nf-core/chopper/meta.yml @@ -38,6 +38,10 @@ input: type: file description: FastQ with reads from long read sequencing e.g. PacBio or ONT pattern: "*.{fastq.gz}" + - - fasta: + type: file + description: An optional reference fasta file against which to remove reads that align to it. + pattern: "*.fasta" output: - fastq: - meta: diff --git a/modules/nf-core/chopper/tests/main.nf.test b/modules/nf-core/chopper/tests/main.nf.test index ee195b5f..e611fa9f 100644 --- a/modules/nf-core/chopper/tests/main.nf.test +++ b/modules/nf-core/chopper/tests/main.nf.test @@ -7,7 +7,43 @@ nextflow_process { tag "modules" tag "modules_nfcore" - test("Should run without failures") { + test("test with lambda reference") { + + when { + params { + outdir = "$outputDir" + } + process { + """ + input[0] = [ + [id:'test_out' ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test_2.fastq.gz', checkIfExists: true) + ] + input[1] = file(params.modules_testdata_base_path + 'genomics/sarscov2/genome/genome.fasta.gz', checkIfExists: true) + """ + } + } + + then { + + def fastq_content = path(process.out.fastq.get(0).get(1)).linesGzip + + assertAll( + { assert process.success }, + // original pytest checks + { assert process.out.fastq.get(0).get(1) ==~ ".*/test_out.fastq.gz" }, + { assert !fastq_content.contains("@a52a642e-88d0-4584-babd-414ea84db484 runid=71c83ae0021f873e29b130c6562a4c27185f93b8 read=2768 ch=489 start_time=2021-08-11T12:07:39Z flow_cell_id=FAQ57606 protocol_group_id=210811_47CoV_SA sample_id=CS5 barcode=barcode04 barcode_alias=barcode04")}, + // additional nf-test checks + // Order of reads is not deterministic, so only assess whether the number of reads is correct + { assert snapshot( + fastq_content.size(), + process.out.versions + ).match() } + ) + } + } + + test("test without lambda reference") { when { params { @@ -19,6 +55,7 @@ nextflow_process { [id:'test_out' ], // meta map file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) ] + input[1] = [] """ } } @@ -34,12 +71,37 @@ nextflow_process { { assert fastq_content.contains("@2109d790-67ec-4fd1-8931-6c7e61908ff3 runid=97ca62ca093ff43533aa34c38a10b1d6325e7e7b read=52274 ch=243 start_time=2021-02-05T23:27:30Z flow_cell_id=FAP51364 protocol_group_id=data sample_id=RN20097 barcode=barcode01 barcode_alias=barcode01")}, // additional nf-test checks // Order of reads is not deterministic, so only assess whether the number of reads is correct - { assert snapshot(fastq_content.size()).match("number_of_lines") }, - { assert snapshot(process.out.versions).match("versions") } - + { assert snapshot( + fastq_content.size(), + process.out.versions + ).match() } ) } - } -} + test("test-chopper-stub") { + options '-stub' + + when { + process { + """ + input[0] = [ + [id:'test_out' ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/nanopore/fastq/test.fastq.gz', checkIfExists: true) + ] + input[1] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + process.out, + process.out.versions + ).match() } + ) + } + } +} \ No newline at end of file diff --git a/modules/nf-core/chopper/tests/main.nf.test.snap b/modules/nf-core/chopper/tests/main.nf.test.snap index d2587e66..60522256 100644 --- a/modules/nf-core/chopper/tests/main.nf.test.snap +++ b/modules/nf-core/chopper/tests/main.nf.test.snap @@ -1,16 +1,64 @@ { - "versions": { + "test without lambda reference": { "content": [ + 400, [ - "versions.yml:md5,5fe28ea455482c9fe88603ddcc461881" + "versions.yml:md5,74a27493c09d0c481f6e52b517e12023" ] ], - "timestamp": "2023-10-20T08:27:24.592662298" + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.4" + }, + "timestamp": "2024-10-31T15:14:36.37897815" }, - "number_of_lines": { + "test with lambda reference": { "content": [ - 400 + 15984, + [ + "versions.yml:md5,74a27493c09d0c481f6e52b517e12023" + ] + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.4" + }, + "timestamp": "2024-10-31T15:14:31.324993049" + }, + "test-chopper-stub": { + "content": [ + { + "0": [ + [ + { + "id": "test_out" + }, + "test_out.fastq.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "1": [ + "versions.yml:md5,74a27493c09d0c481f6e52b517e12023" + ], + "fastq": [ + [ + { + "id": "test_out" + }, + "test_out.fastq.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "versions": [ + "versions.yml:md5,74a27493c09d0c481f6e52b517e12023" + ] + }, + [ + "versions.yml:md5,74a27493c09d0c481f6e52b517e12023" + ] ], - "timestamp": "2023-10-20T08:27:24.581289647" + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.4" + }, + "timestamp": "2024-10-31T15:29:08.715579423" } } \ No newline at end of file diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf index 76865c25..7de6dd25 100644 --- a/subworkflows/local/longread_preprocessing.nf +++ b/subworkflows/local/longread_preprocessing.nf @@ -15,7 +15,7 @@ workflow LONGREAD_PREPROCESSING { take: ch_raw_long_reads // [ [meta] , fastq] (mandatory) ch_short_reads // [ [meta] , fastq1, fastq2] (mandatory) - ch_nanolyse_db // [fasta] + ch_lambda_db // [fasta] main: ch_versions = Channel.empty() @@ -56,7 +56,7 @@ workflow LONGREAD_PREPROCESSING { if (!params.keep_lambda && params.longread_filtering_tool != 'chopper') { NANOLYSE ( ch_long_reads, - ch_nanolyse_db + ch_lambda_db ) ch_long_reads = NANOLYSE.out.fastq ch_versions = ch_versions.mix(NANOLYSE.out.versions.first()) @@ -88,7 +88,8 @@ workflow LONGREAD_PREPROCESSING { ch_multiqc_files = ch_multiqc_files.mix(NANOQ.out.stats) } else if (params.longread_filtering_tool == 'chopper') { CHOPPER ( - ch_long_reads + ch_long_reads, + ch_lambda_db.ifEmpty([]) ) ch_long_reads = CHOPPER.out.fastq ch_versions = ch_versions.mix(CHOPPER.out.versions.first()) diff --git a/workflows/mag.nf b/workflows/mag.nf index 49314024..c3ddf65b 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -135,8 +135,10 @@ if(!params.keep_phix) { } if (!params.keep_lambda) { - ch_nanolyse_db = Channel + ch_lambda_db = Channel .value(file( "${params.lambda_reference}" )) +} else { + ch_lambda_db = Channel.empty() } if (params.genomad_db){ @@ -361,7 +363,7 @@ workflow MAG { LONGREAD_PREPROCESSING ( ch_raw_long_reads, ch_short_reads, - ch_nanolyse_db + ch_lambda_db ) ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions) From 7ec9a740caa996058d708038a36e1bf9836a05da Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 1 Nov 2024 09:37:44 +0100 Subject: [PATCH 31/87] fix save_filtered_longreads parameter --- conf/modules.config | 18 ++++++++++++++---- nextflow.config | 2 +- nextflow_schema.json | 4 ++-- 3 files changed, 17 insertions(+), 7 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 77968e8d..e87a9732 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -190,7 +190,7 @@ process { path: { "${params.outdir}/QC_longreads/Filtlong" }, mode: params.publish_dir_mode, pattern: "*_filtlong.fastq.gz", - enabled: params.save_filtlong_reads + enabled: params.save_filtered_longreads ] ext.prefix = { "${meta.id}_run${meta.run}_filtlong" } } @@ -206,7 +206,7 @@ process { path: { "${params.outdir}/QC_longreads/Nanoq" }, mode: params.publish_dir_mode, pattern: "*_nanoq_filtered.fastq.gz", - enabled: params.save_filtered_reads + enabled: params.save_filtered_longreads ], [ path: { "${params.outdir}/QC_longreads/Nanoq" }, @@ -218,7 +218,17 @@ process { } withName: NANOLYSE { - publishDir = [[path: { "${params.outdir}/QC_longreads/NanoLyse" }, mode: params.publish_dir_mode, pattern: "*.log"], [path: { "${params.outdir}/QC_longreads/NanoLyse" }, mode: params.publish_dir_mode, pattern: "*_nanolyse.fastq.gz", enabled: params.save_lambdaremoved_reads]] + publishDir = [ + [ + path: { "${params.outdir}/QC_longreads/NanoLyse" }, + mode: params.publish_dir_mode, pattern: "*.log" + ], + [ + path: { "${params.outdir}/QC_longreads/NanoLyse" }, + mode: params.publish_dir_mode, pattern: "*_nanolyse.fastq.gz", + enabled: params.save_lambdaremoved_reads + ] + ] ext.prefix = { "${meta.id}_run${meta.run}_lambdafiltered" } } @@ -237,7 +247,7 @@ process { path: { "${params.outdir}/QC_longreads/Chopper" }, mode: params.publish_dir_mode, pattern: "*_chopper.fastq.gz", - enabled: params.save_lambdaremoved_reads + enabled: params.save_lambdaremoved_reads || params.save_filtered_longreads ] ] ext.prefix = { "${meta.id}_run${meta.run}_chopper" } diff --git a/nextflow.config b/nextflow.config index 295924fb..a5637f85 100644 --- a/nextflow.config +++ b/nextflow.config @@ -111,7 +111,7 @@ params { lambda_reference = "${baseDir}/assets/data/GCA_000840245.1_ViralProj14204_genomic.fna.gz" save_lambdaremoved_reads = false save_porechop_reads = false - save_filtered_reads = false + save_filtered_longreads = false // binning options skip_metabat2 = false diff --git a/nextflow_schema.json b/nextflow_schema.json index 00d87a65..2a7744d6 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -424,9 +424,9 @@ "type": "boolean", "description": "Specify to save the resulting clipped FASTQ files to --outdir." }, - "save_filtered_reads": { + "save_filtered_longreads": { "type": "boolean", - "description": "Specify to save the resulting length filtered FASTQ files to --outdir." + "description": "Specify to save the resulting length filtered long read FASTQ files to --outdir." }, "longread_adaptertrimming_tool": { "type": "string", From 4ceacae5ea26b8c3695db45fb6a06b0fcae97665 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 1 Nov 2024 10:51:18 +0100 Subject: [PATCH 32/87] Update changelog, citations, and output --- CHANGELOG.md | 8 ++++++++ CITATIONS.md | 8 ++++++++ docs/output.md | 24 +++++++++++++++++++----- 3 files changed, 35 insertions(+), 5 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index a902cd7b..89c6d53a 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,12 +7,20 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` +- [#692](https://github.com/nf-core/mag/pull/692) - Added Nanoq as optional longread filtering tool +- [#692](https://github.com/nf-core/mag/pull/692) - Added chopper as optional longread filtering tool and/or phage lambda removal tool + ### `Changed` ### `Fixed` ### `Dependencies` +| Tool | Previous version | New version | +| ------- | ---------------- | ----------- | +| chopper | | 0.8.0 | +| nanoq | | 0.10.0 | + ### `Deprecated` ## 3.2.0 [2024-10-27] diff --git a/CITATIONS.md b/CITATIONS.md index 52caa1e6..74138f6c 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -40,6 +40,10 @@ > Parks, D. H., Imelfort, M., Skennerton, C. T., Hugenholtz, P., & Tyson, G. W. (2015). CheckM: assessing the quality of microbial genomes recovered from isolates, single cells, and metagenomes. Genome Research, 25(7), 1043–1055. doi: 10.1101/gr.186072.114 +- [Chopper](https://doi.org/10.1093/bioinformatics/bty149) + + > De Coster W, D'Hert S, Schultz DT, Cruts M, Van Broeckhoven C. NanoPack: visualizing and processing long-read sequencing data. Bioinformatics. 2018 Aug 1;34(15):2666-2669. doi: 10.1093/bioinformatics/bty149 + - [CONCOCT](https://doi.org/10.1038/nmeth.3103) > Alneberg, J., Bjarnason, B. S., de Bruijn, I., Schirmer, M., Quick, J., Ijaz, U. Z., Lahti, L., Loman, N. J., Andersson, A. F., & Quince, C. (2014). Binning metagenomic contigs by coverage and composition. Nature Methods, 11(11), 1144–1146. doi: 10.1038/nmeth.3103 @@ -114,6 +118,10 @@ > De Coster, W., D’Hert, S., Schultz, D. T., Cruts, M., & Van Broeckhoven, C. (2018). NanoPack: visualizing and processing long-read sequencing data. Bioinformatics, 34(15), 2666-2669. doi: 10.1093/bioinformatics/bty149. +- [Nanoq](https://doi.org/10.21105/joss.02991) + + > Steinig, E., Coin, L. (2022). Nanoq: ultra-fast quality control for nanopore reads. Journal of Open Source Software, 7(69), 2991, doi: 10.21105/joss.02991 + - [Porechop](https://github.com/rrwick/Porechop) - [Porechop-abi](https://github.com/bonsai-team/Porechop_ABI) diff --git a/docs/output.md b/docs/output.md index 4e43ffb6..8eddd954 100644 --- a/docs/output.md +++ b/docs/output.md @@ -109,9 +109,9 @@ The pipeline uses Nanolyse to map the reads against the Lambda phage and removes -### Filtlong and porechop +### Long read adapter removal -The pipeline uses filtlong and porechop to perform quality control of the long reads that are eventually provided with the TSV input file. +The pipeline uses porecho_abi or porechop to perform adaptertrimming of the long reads that are eventually provided with the TSV input file.
Output files @@ -119,15 +119,29 @@ The pipeline uses filtlong and porechop to perform quality control of the long r - `QC_longreads/porechop/` - `[sample]_[run]_porechop_trimmed.fastq.gz`: If `--longread_adaptertrimming_tool 'porechop'`, the adapter trimmed FASTQ files from porechop - `[sample]_[run]_porechop-abi_trimmed.fastq.gz`: If `--longread_adaptertrimming_tool 'porechop_abi'`, the adapter trimmed FASTQ files from porechop_ABI -- `QC_longreads/filtlong/` + +
+ +### Long read filtering + +The pipeline uses filtlong, chopper, or nanoq for quality filtering of long reads, specified with `--longread_filtering_tool filtlong|chopper|nanoq`. Only is capable of filtering long reads against short reads, and is therefor currently recommended in the hybrid mode. If chopper is selected as long read filtering tool, Phage Lambda removal will be performed with chopper as well, instead of nanolyse. + +
+Output files + +- `QC_longreads/Filtlong/` - `[sample]_[run]_filtlong.fastq.gz`: The length and quality filtered reads in FASTQ from Filtlong +- `QC_longreads/Nanoq/` + - `[sample]_[run]_nanoq_filtered.fastq.gz`: The length and quality filtered reads in FASTQ from Nanoq +- `QC_longreads/Chopper/` + - `[sample]_[run]_nanoq_chopper.fastq.gz`: The length and quality filtered, optionally phage lambda removed reads in FASTQ from Chopper
-Trimmed and filtered FASTQ output directories and files will only exist if `--save_porechop_reads` and/or `--save_filtlong_reads` (respectively) are provided to the run command . +Trimmed and filtered FASTQ output directories and files will only exist if `--save_porechop_reads` and/or `--save_filtered_longreads` (respectively) are provided to the run command . No direct host read removal is performed for long reads. -However, since within this pipeline filtlong uses a read quality based on k-mer matches to the already filtered short reads, reads not overlapping those short reads might be discarded. +However, since within this pipeline filtlong uses a read quality based on k-mer matches to the already filtered short reads, reads not overlapping those short reads might be discarded. Note that this only applies when using filtlong as long read filtering tool. The lower the parameter `--longreads_length_weight`, the higher the impact of the read qualities for filtering. For further documentation see the [filtlong online documentation](https://github.com/rrwick/Filtlong). From 03408c6400faa1769b9222330552ea0b51ab83c9 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 1 Nov 2024 11:22:04 +0100 Subject: [PATCH 33/87] fix linting --- nextflow_schema.json | 1 - 1 file changed, 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 2a7744d6..6e16c49c 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -392,7 +392,6 @@ }, "longreads_min_quality": { "type": "integer", - "default": null, "description": "Discard any read which has a mean quality score lower than this value." }, "longreads_keep_percent": { From 4552dc7119878a0c2ae1209b59ba8ae4df090ed0 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 1 Nov 2024 15:03:00 +0100 Subject: [PATCH 34/87] move short read preprocessing into a subworkflow --- subworkflows/local/shortread_preprocessing.nf | 182 ++++++++++++++++++ workflows/mag.nf | 151 +-------------- 2 files changed, 189 insertions(+), 144 deletions(-) create mode 100644 subworkflows/local/shortread_preprocessing.nf diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf new file mode 100644 index 00000000..c8de5bcf --- /dev/null +++ b/subworkflows/local/shortread_preprocessing.nf @@ -0,0 +1,182 @@ +/* + * SHORTREAD_PREPROCESSING: Preprocessing and QC for short reads + */ + +include { FASTQC as FASTQC_RAW } from '../../modules/nf-core/fastqc/main' +include { FASTQC as FASTQC_TRIMMED } from '../../modules/nf-core/fastqc/main' +include { FASTP } from '../../modules/nf-core/fastp/main' +include { ADAPTERREMOVAL_PE, ADAPTERREMOVAL_SE } from '../../modules/nf-core/adapterremoval/main' +include { BOWTIE2_HOST_REMOVAL_BUILD, BOWTIE2_HOST_REMOVAL_ALIGN } from '../../modules/nf-core/bowtie2/main' +include { BOWTIE2_PHIX_REMOVAL_BUILD, BOWTIE2_PHIX_REMOVAL_ALIGN } from '../../modules/nf-core/bowtie2/main' +include { CAT_FASTQ } from '../../modules/nf-core/cat/main' +include { SEQTK_MERGEPE } from '../../modules/nf-core/seqtk/main' +include { BBMAP_BBNORM } from '../../modules/nf-core/bbmap/main' + +workflow SHORTREAD_PREPROCESSING { + take: + ch_raw_short_reads // [ [meta] , fastq1, fastq2] (mandatory) + ch_host_fasta // [fasta] (optional) + ch_phix_db_file // [fasta] (optional) + ch_metaeuk_db // [fasta] (optional) + + main: + ch_versions = Channel.empty() + ch_multiqc_files = Channel.empty() + + FASTQC_RAW( + ch_raw_short_reads + ) + ch_versions = ch_versions.mix(FASTQC_RAW.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip.collect { it[1] }.ifEmpty([])) + + ch_bowtie2_removal_host_multiqc = Channel.empty() + if (!params.assembly_input) { + if (!params.skip_clipping) { + if (params.clip_tool == 'fastp') { + ch_clipmerge_out = FASTP( + ch_raw_short_reads, + [], + params.fastp_save_trimmed_fail, + [] + ) + ch_short_reads_prepped = FASTP.out.reads + ch_versions = ch_versions.mix(FASTP.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json.collect { it[1] }.ifEmpty([])) + } + else if (params.clip_tool == 'adapterremoval') { + + // due to strange output file scheme in AR2, have to manually separate + // SE/PE to allow correct pulling of reads after. + ch_adapterremoval_in = ch_raw_short_reads.branch { + single: it[0]['single_end'] + paired: !it[0]['single_end'] + } + + ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) + ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) + + ch_short_reads_prepped = Channel.empty() + ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) + + ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings.collect { it[1] }.ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings.collect { it[1] }.ifEmpty([])) + } + } + else { + ch_short_reads_prepped = ch_raw_short_reads + } + + if (params.host_fasta) { + if (params.host_fasta_bowtie2index) { + ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) + } + else { + BOWTIE2_HOST_REMOVAL_BUILD( + ch_host_fasta + ) + ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index + } + } + + if (params.host_fasta || params.host_genome) { + BOWTIE2_HOST_REMOVAL_ALIGN( + ch_short_reads_prepped, + ch_host_bowtie2index + ) + ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log.collect { it[1] }.ifEmpty([])) + } + else { + ch_short_reads_hostremoved = ch_short_reads_prepped + } + + if (!params.keep_phix) { + BOWTIE2_PHIX_REMOVAL_BUILD( + ch_phix_db_file + ) + BOWTIE2_PHIX_REMOVAL_ALIGN( + ch_short_reads_hostremoved, + BOWTIE2_PHIX_REMOVAL_BUILD.out.index + ) + ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log.collect { it[1] }.ifEmpty([])) + } + else { + ch_short_reads_phixremoved = ch_short_reads_hostremoved + } + + if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { + FASTQC_TRIMMED( + ch_short_reads_phixremoved + ) + ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip.collect { it[1] }.ifEmpty([])) + } + + // Run/Lane merging + + ch_short_reads_forcat = ch_short_reads_phixremoved + .map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } + .groupTuple() + .branch { meta, reads -> + cat: reads.size() >= 2 + skip_cat: true + } + + CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) + + // Ensure we don't have nests of nests so that structure is in form expected for assembly + ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> + def new_reads = meta.single_end ? reads[0] : reads.flatten() + [meta, new_reads] + } + + // Combine single run and multi-run-merged data + ch_short_reads = Channel.empty() + ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) + ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) + + if (params.bbnorm) { + if (params.coassemble_group) { + // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares + // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not + // accepting a mix of single end and pairs. + SEQTK_MERGEPE( + ch_short_reads.filter { !it[0].single_end } + ) + ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) + // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). + ch_bbnorm = SEQTK_MERGEPE.out.reads + .mix(ch_short_reads.filter { it[0].single_end }) + .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } + .groupTuple() + } + else { + ch_bbnorm = ch_short_reads + } + BBMAP_BBNORM(ch_bbnorm) + ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) + ch_short_reads_assembly = BBMAP_BBNORM.out.fastq + } + else { + ch_short_reads_assembly = ch_short_reads + } + } + else { + ch_short_reads = ch_raw_short_reads.map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } + } + + emit: + short_reads = ch_short_reads + versions = ch_versions + multiqc_files = ch_multiqc_files +} diff --git a/workflows/mag.nf b/workflows/mag.nf index 7afb4316..e542accb 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -197,152 +197,15 @@ workflow MAG { ================================================================================ */ - FASTQC_RAW( - ch_raw_short_reads + SHORTREAD_PREPROCESSING( + ch_raw_short_reads, + ch_host_fasta, + ch_phix_db_file, + ch_metaeuk_db ) - ch_versions = ch_versions.mix(FASTQC_RAW.out.versions.first()) - ch_bowtie2_removal_host_multiqc = Channel.empty() - if (!params.assembly_input) { - if (!params.skip_clipping) { - if (params.clip_tool == 'fastp') { - ch_clipmerge_out = FASTP( - ch_raw_short_reads, - [], - params.fastp_save_trimmed_fail, - [] - ) - ch_short_reads_prepped = FASTP.out.reads - ch_versions = ch_versions.mix(FASTP.out.versions.first()) - } - else if (params.clip_tool == 'adapterremoval') { - - // due to strange output file scheme in AR2, have to manually separate - // SE/PE to allow correct pulling of reads after. - ch_adapterremoval_in = ch_raw_short_reads.branch { - single: it[0]['single_end'] - paired: !it[0]['single_end'] - } - - ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) - ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) - - ch_short_reads_prepped = Channel.empty() - ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) - - ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) - } - } - else { - ch_short_reads_prepped = ch_raw_short_reads - } - - if (params.host_fasta) { - if (params.host_fasta_bowtie2index) { - ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) - } - else { - BOWTIE2_HOST_REMOVAL_BUILD( - ch_host_fasta - ) - ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index - } - } - - ch_bowtie2_removal_host_multiqc = Channel.empty() - if (params.host_fasta || params.host_genome) { - BOWTIE2_HOST_REMOVAL_ALIGN( - ch_short_reads_prepped, - ch_host_bowtie2index - ) - ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads - ch_bowtie2_removal_host_multiqc = BOWTIE2_HOST_REMOVAL_ALIGN.out.log - ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) - } - else { - ch_short_reads_hostremoved = ch_short_reads_prepped - } - - if (!params.keep_phix) { - BOWTIE2_PHIX_REMOVAL_BUILD( - ch_phix_db_file - ) - BOWTIE2_PHIX_REMOVAL_ALIGN( - ch_short_reads_hostremoved, - BOWTIE2_PHIX_REMOVAL_BUILD.out.index - ) - ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads - ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) - } - else { - ch_short_reads_phixremoved = ch_short_reads_hostremoved - } - - if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { - FASTQC_TRIMMED( - ch_short_reads_phixremoved - ) - ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) - } - - // Run/Lane merging - - ch_short_reads_forcat = ch_short_reads_phixremoved - .map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } - .groupTuple() - .branch { meta, reads -> - cat: reads.size() >= 2 - skip_cat: true - } - - CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) - - // Ensure we don't have nests of nests so that structure is in form expected for assembly - ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> - def new_reads = meta.single_end ? reads[0] : reads.flatten() - [meta, new_reads] - } - - // Combine single run and multi-run-merged data - ch_short_reads = Channel.empty() - ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) - ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) - - if (params.bbnorm) { - if (params.coassemble_group) { - // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares - // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not - // accepting a mix of single end and pairs. - SEQTK_MERGEPE( - ch_short_reads.filter { !it[0].single_end } - ) - ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) - // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). - ch_bbnorm = SEQTK_MERGEPE.out.reads - .mix(ch_short_reads.filter { it[0].single_end }) - .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } - .groupTuple() - } - else { - ch_bbnorm = ch_short_reads - } - BBMAP_BBNORM(ch_bbnorm) - ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) - ch_short_reads_assembly = BBMAP_BBNORM.out.fastq - } - else { - ch_short_reads_assembly = ch_short_reads - } - } - else { - ch_short_reads = ch_raw_short_reads.map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } - } + ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) + ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads /* ================================================================================ From fc9f7fc3083430534926dd46eb75f2f9dc49d607 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 22 Nov 2024 08:05:16 +0100 Subject: [PATCH 35/87] Update CHANGELOG.md Co-authored-by: James A. Fellows Yates --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 8ce7720f..6fe24902 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -21,7 +21,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 | Tool | Previous version | New version | | ------- | ---------------- | ----------- | -| chopper | | 0.8.0 | +| chopper | | 0.9.0 | | nanoq | | 0.10.0 | ### `Deprecated` From 6e04c6e29827274eeb67604bb7b4b8ffcdec5ac9 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 22 Nov 2024 08:05:40 +0100 Subject: [PATCH 36/87] Update CHANGELOG.md Co-authored-by: James A. Fellows Yates --- CHANGELOG.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6fe24902..98c1efbe 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,8 +7,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` -- [#692](https://github.com/nf-core/mag/pull/692) - Added Nanoq as optional longread filtering tool -- [#692](https://github.com/nf-core/mag/pull/692) - Added chopper as optional longread filtering tool and/or phage lambda removal tool +- [#692](https://github.com/nf-core/mag/pull/692) - Added Nanoq as optional longread filtering tool (added by @muabnezor) +- [#692](https://github.com/nf-core/mag/pull/692) - Added chopper as optional longread filtering tool and/or phage lambda removal tool (added by @muabnezor) - [#708](https://github.com/nf-core/mag/pull/708) - Added `--exclude_unbins_from_postbinning` parameter to exclude unbinned contigs from post-binning processes, speeding up Prokka in some cases (added by @dialvarezs) ### `Changed` From 6131b9125c99d18e2e67dcff7ba389b6d2603e6b Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 22 Nov 2024 08:06:01 +0100 Subject: [PATCH 37/87] Update conf/modules.config Co-authored-by: James A. Fellows Yates --- conf/modules.config | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index b8831f0d..f5af5335 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -203,10 +203,10 @@ process { ].join(' ').trim() publishDir = [ [ - path: { "${params.outdir}/QC_longreads/Nanoq" }, - mode: params.publish_dir_mode, - pattern: "*_nanoq_filtered.fastq.gz", - enabled: params.save_filtered_longreads + path: { "${params.outdir}/QC_longreads/Nanoq" }, + mode: params.publish_dir_mode, + pattern: "*_nanoq_filtered.fastq.gz", + enabled: params.save_filtered_longreads ], [ path: { "${params.outdir}/QC_longreads/Nanoq" }, From b7c88eacf3cf4af9213aacd370f27867ffcae7d4 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 22 Nov 2024 08:08:13 +0100 Subject: [PATCH 38/87] Update docs/output.md Co-authored-by: James A. Fellows Yates --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index 8eddd954..d827fa14 100644 --- a/docs/output.md +++ b/docs/output.md @@ -124,7 +124,7 @@ The pipeline uses porecho_abi or porechop to perform adaptertrimming of the long ### Long read filtering -The pipeline uses filtlong, chopper, or nanoq for quality filtering of long reads, specified with `--longread_filtering_tool filtlong|chopper|nanoq`. Only is capable of filtering long reads against short reads, and is therefor currently recommended in the hybrid mode. If chopper is selected as long read filtering tool, Phage Lambda removal will be performed with chopper as well, instead of nanolyse. +The pipeline uses filtlong, chopper, or nanoq for quality filtering of long reads, specified with `--longread_filtering_tool `. Only is capable of filtering long reads against short reads, and is therefore currently recommended in the hybrid mode. If chopper is selected as long read filtering tool, Lambda Phage removal will be performed with chopper as well, instead of nanolyse.
Output files From bd75811bf46bb82f2fd3b4965ac9f8e44d2b1359 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 22 Nov 2024 08:08:23 +0100 Subject: [PATCH 39/87] Update nextflow.config Co-authored-by: James A. Fellows Yates --- nextflow.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow.config b/nextflow.config index 3c540f32..774e2ad2 100644 --- a/nextflow.config +++ b/nextflow.config @@ -111,7 +111,7 @@ params { lambda_reference = "${baseDir}/assets/data/GCA_000840245.1_ViralProj14204_genomic.fna.gz" save_lambdaremoved_reads = false save_porechop_reads = false - save_filtered_longreads = false + save_filtered_longreads = false // binning options skip_metabat2 = false From e978c23b5058d302a9314d836a306a6b327cd375 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 22 Nov 2024 08:14:44 +0100 Subject: [PATCH 40/87] Update output.md --- docs/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/output.md b/docs/output.md index d827fa14..987be311 100644 --- a/docs/output.md +++ b/docs/output.md @@ -124,7 +124,7 @@ The pipeline uses porecho_abi or porechop to perform adaptertrimming of the long ### Long read filtering -The pipeline uses filtlong, chopper, or nanoq for quality filtering of long reads, specified with `--longread_filtering_tool `. Only is capable of filtering long reads against short reads, and is therefore currently recommended in the hybrid mode. If chopper is selected as long read filtering tool, Lambda Phage removal will be performed with chopper as well, instead of nanolyse. +The pipeline uses filtlong, chopper, or nanoq for quality filtering of long reads, specified with `--longread_filtering_tool `. Only filtlong is capable of filtering long reads against short reads, and is therefore currently recommended in the hybrid mode. If chopper is selected as long read filtering tool, Lambda Phage removal will be performed with chopper as well, instead of nanolyse.
Output files From 00ac9250bc8c81c4312142634cf32804621d4fe3 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Sat, 23 Nov 2024 07:33:59 +0100 Subject: [PATCH 41/87] add include statements --- subworkflows/local/shortread_preprocessing.nf | 16 ++++++++++------ workflows/mag.nf | 2 ++ 2 files changed, 12 insertions(+), 6 deletions(-) diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf index c8de5bcf..2ae35237 100644 --- a/subworkflows/local/shortread_preprocessing.nf +++ b/subworkflows/local/shortread_preprocessing.nf @@ -5,12 +5,15 @@ include { FASTQC as FASTQC_RAW } from '../../modules/nf-core/fastqc/main' include { FASTQC as FASTQC_TRIMMED } from '../../modules/nf-core/fastqc/main' include { FASTP } from '../../modules/nf-core/fastp/main' -include { ADAPTERREMOVAL_PE, ADAPTERREMOVAL_SE } from '../../modules/nf-core/adapterremoval/main' -include { BOWTIE2_HOST_REMOVAL_BUILD, BOWTIE2_HOST_REMOVAL_ALIGN } from '../../modules/nf-core/bowtie2/main' -include { BOWTIE2_PHIX_REMOVAL_BUILD, BOWTIE2_PHIX_REMOVAL_ALIGN } from '../../modules/nf-core/bowtie2/main' -include { CAT_FASTQ } from '../../modules/nf-core/cat/main' -include { SEQTK_MERGEPE } from '../../modules/nf-core/seqtk/main' -include { BBMAP_BBNORM } from '../../modules/nf-core/bbmap/main' +include { ADAPTERREMOVAL as ADAPTERREMOVAL_PE } from '../../modules/nf-core/adapterremoval/main' +include { ADAPTERREMOVAL as ADAPTERREMOVAL_SE } from '../../modules/nf-core/adapterremoval/main' +include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_HOST_REMOVAL_BUILD } from '../../modules/local/bowtie2_removal_build' +include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_HOST_REMOVAL_ALIGN } from '../../modules/local/bowtie2_removal_align' +include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_PHIX_REMOVAL_BUILD } from '../../modules/local/bowtie2_removal_build' +include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_PHIX_REMOVAL_ALIGN } from '../../modules/local/bowtie2_removal_align' +include { CAT_FASTQ } from '../../modules/nf-core/cat/fastq/main' +include { SEQTK_MERGEPE } from '../../modules/nf-core/seqtk/mergepe/main' +include { BBMAP_BBNORM } from '../..//modules/nf-core/bbmap/bbnorm/main' workflow SHORTREAD_PREPROCESSING { take: @@ -177,6 +180,7 @@ workflow SHORTREAD_PREPROCESSING { emit: short_reads = ch_short_reads + short_reads_assembly = ch_short_reads_assembly versions = ch_versions multiqc_files = ch_multiqc_files } diff --git a/workflows/mag.nf b/workflows/mag.nf index e542accb..269d3fda 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -24,6 +24,7 @@ include { ANCIENT_DNA_ASSEMBLY_VALIDATION } from '../subwo include { DOMAIN_CLASSIFICATION } from '../subworkflows/local/domain_classification' include { DEPTHS } from '../subworkflows/local/depths' include { LONGREAD_PREPROCESSING } from '../subworkflows/local/longread_preprocessing' +include { SHORTREAD_PREPROCESSING } from '../subworkflows/local/shortread_preprocessing' // // MODULE: Installed directly from nf-core/modules @@ -206,6 +207,7 @@ workflow MAG { ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads + ch_short_reads_assembly = SHORTREAD_PREPROCESSING.out.short_reads_assembly /* ================================================================================ From 2768f5eb706d344e744e962df348aed04549783d Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Sat, 23 Nov 2024 10:09:08 +0100 Subject: [PATCH 42/87] Fix multiqc input channel, channel mixing for short read processing is now handled in subworkflow --- workflows/mag.nf | 26 ++------------------------ 1 file changed, 2 insertions(+), 24 deletions(-) diff --git a/workflows/mag.nf b/workflows/mag.nf index 352643b8..87397d97 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -880,32 +880,10 @@ workflow MAG { ) ) - ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip.collect { it[1] }.ifEmpty([])) + // Add all files from preprocessing to the MultiQC input channel + ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_PREPROCESSING.out.multiqc_files.collect { it[1] }.ifEmpty([])) ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.multiqc_files.collect { it[1] }.ifEmpty([])) - if (!params.assembly_input) { - - if (!params.skip_clipping && params.clip_tool == 'adapterremoval') { - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings.collect { it[1] }.ifEmpty([])) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings.collect { it[1] }.ifEmpty([])) - } - else if (!params.skip_clipping && params.clip_tool == 'fastp') { - ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json.collect { it[1] }.ifEmpty([])) - } - - if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { - ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip.collect { it[1] }.ifEmpty([])) - } - - if (params.host_fasta || params.host_genome) { - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log.collect { it[1] }.ifEmpty([])) - } - - if (!params.keep_phix) { - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log.collect { it[1] }.ifEmpty([])) - } - } - ch_multiqc_files = ch_multiqc_files.mix(CENTRIFUGE_KREPORT.out.kreport.collect { it[1] }.ifEmpty([])) ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2.out.report.collect { it[1] }.ifEmpty([])) From 9a039da6a98a680e3351a842391f6da8dac7178f Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Sun, 24 Nov 2024 20:32:47 +0100 Subject: [PATCH 43/87] Fix multiqc file mix --- subworkflows/local/shortread_preprocessing.nf | 17 +++++++++-------- 1 file changed, 9 insertions(+), 8 deletions(-) diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf index 2ae35237..2fbb3e95 100644 --- a/subworkflows/local/shortread_preprocessing.nf +++ b/subworkflows/local/shortread_preprocessing.nf @@ -30,13 +30,13 @@ workflow SHORTREAD_PREPROCESSING { ch_raw_short_reads ) ch_versions = ch_versions.mix(FASTQC_RAW.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip.collect { it[1] }.ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip) ch_bowtie2_removal_host_multiqc = Channel.empty() if (!params.assembly_input) { if (!params.skip_clipping) { if (params.clip_tool == 'fastp') { - ch_clipmerge_out = FASTP( + FASTP( ch_raw_short_reads, [], params.fastp_save_trimmed_fail, @@ -44,7 +44,8 @@ workflow SHORTREAD_PREPROCESSING { ) ch_short_reads_prepped = FASTP.out.reads ch_versions = ch_versions.mix(FASTP.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json.collect { it[1] }.ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json) + } else if (params.clip_tool == 'adapterremoval') { @@ -62,8 +63,8 @@ workflow SHORTREAD_PREPROCESSING { ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings.collect { it[1] }.ifEmpty([])) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings.collect { it[1] }.ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings) } } else { @@ -89,7 +90,7 @@ workflow SHORTREAD_PREPROCESSING { ) ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log.collect { it[1] }.ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log) } else { ch_short_reads_hostremoved = ch_short_reads_prepped @@ -105,7 +106,7 @@ workflow SHORTREAD_PREPROCESSING { ) ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log.collect { it[1] }.ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log) } else { ch_short_reads_phixremoved = ch_short_reads_hostremoved @@ -116,7 +117,7 @@ workflow SHORTREAD_PREPROCESSING { ch_short_reads_phixremoved ) ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) - ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip.collect { it[1] }.ifEmpty([])) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip) } // Run/Lane merging From 78615271d3979208f5fa793d01cc0528d768afdb Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Sun, 24 Nov 2024 20:52:02 +0100 Subject: [PATCH 44/87] Move assembly-input logic to main workflow --- subworkflows/local/shortread_preprocessing.nf | 234 +++++++++--------- workflows/mag.nf | 26 +- 2 files changed, 130 insertions(+), 130 deletions(-) diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf index 2fbb3e95..2181265d 100644 --- a/subworkflows/local/shortread_preprocessing.nf +++ b/subworkflows/local/shortread_preprocessing.nf @@ -33,150 +33,142 @@ workflow SHORTREAD_PREPROCESSING { ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip) ch_bowtie2_removal_host_multiqc = Channel.empty() - if (!params.assembly_input) { - if (!params.skip_clipping) { - if (params.clip_tool == 'fastp') { - FASTP( - ch_raw_short_reads, - [], - params.fastp_save_trimmed_fail, - [] - ) - ch_short_reads_prepped = FASTP.out.reads - ch_versions = ch_versions.mix(FASTP.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json) + if (!params.skip_clipping) { + if (params.clip_tool == 'fastp') { + FASTP( + ch_raw_short_reads, + [], + params.fastp_save_trimmed_fail, + [] + ) + ch_short_reads_prepped = FASTP.out.reads + ch_versions = ch_versions.mix(FASTP.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json) - } - else if (params.clip_tool == 'adapterremoval') { + } + else if (params.clip_tool == 'adapterremoval') { - // due to strange output file scheme in AR2, have to manually separate - // SE/PE to allow correct pulling of reads after. - ch_adapterremoval_in = ch_raw_short_reads.branch { - single: it[0]['single_end'] - paired: !it[0]['single_end'] - } + // due to strange output file scheme in AR2, have to manually separate + // SE/PE to allow correct pulling of reads after. + ch_adapterremoval_in = ch_raw_short_reads.branch { + single: it[0]['single_end'] + paired: !it[0]['single_end'] + } - ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) - ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) + ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) + ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) - ch_short_reads_prepped = Channel.empty() - ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) + ch_short_reads_prepped = Channel.empty() + ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) - ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings) - } - } - else { - ch_short_reads_prepped = ch_raw_short_reads - } - - if (params.host_fasta) { - if (params.host_fasta_bowtie2index) { - ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) - } - else { - BOWTIE2_HOST_REMOVAL_BUILD( - ch_host_fasta - ) - ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index - } + ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings) } + } + else { + ch_short_reads_prepped = ch_raw_short_reads + } - if (params.host_fasta || params.host_genome) { - BOWTIE2_HOST_REMOVAL_ALIGN( - ch_short_reads_prepped, - ch_host_bowtie2index - ) - ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads - ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log) + if (params.host_fasta) { + if (params.host_fasta_bowtie2index) { + ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) } else { - ch_short_reads_hostremoved = ch_short_reads_prepped - } - - if (!params.keep_phix) { - BOWTIE2_PHIX_REMOVAL_BUILD( - ch_phix_db_file + BOWTIE2_HOST_REMOVAL_BUILD( + ch_host_fasta ) - BOWTIE2_PHIX_REMOVAL_ALIGN( - ch_short_reads_hostremoved, - BOWTIE2_PHIX_REMOVAL_BUILD.out.index - ) - ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads - ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log) - } - else { - ch_short_reads_phixremoved = ch_short_reads_hostremoved + ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index } + } - if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { - FASTQC_TRIMMED( - ch_short_reads_phixremoved - ) - ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) - ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip) - } + if (params.host_fasta || params.host_genome) { + BOWTIE2_HOST_REMOVAL_ALIGN( + ch_short_reads_prepped, + ch_host_bowtie2index + ) + ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log) + } + else { + ch_short_reads_hostremoved = ch_short_reads_prepped + } - // Run/Lane merging + if (!params.keep_phix) { + BOWTIE2_PHIX_REMOVAL_BUILD( + ch_phix_db_file + ) + BOWTIE2_PHIX_REMOVAL_ALIGN( + ch_short_reads_hostremoved, + BOWTIE2_PHIX_REMOVAL_BUILD.out.index + ) + ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log) + } + else { + ch_short_reads_phixremoved = ch_short_reads_hostremoved + } - ch_short_reads_forcat = ch_short_reads_phixremoved - .map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } - .groupTuple() - .branch { meta, reads -> - cat: reads.size() >= 2 - skip_cat: true - } + if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { + FASTQC_TRIMMED( + ch_short_reads_phixremoved + ) + ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip) + } - CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) + // Run/Lane merging - // Ensure we don't have nests of nests so that structure is in form expected for assembly - ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> - def new_reads = meta.single_end ? reads[0] : reads.flatten() - [meta, new_reads] + ch_short_reads_forcat = ch_short_reads_phixremoved + .map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } + .groupTuple() + .branch { meta, reads -> + cat: reads.size() >= 2 + skip_cat: true } - // Combine single run and multi-run-merged data - ch_short_reads = Channel.empty() - ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) - ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) - - if (params.bbnorm) { - if (params.coassemble_group) { - // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares - // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not - // accepting a mix of single end and pairs. - SEQTK_MERGEPE( - ch_short_reads.filter { !it[0].single_end } - ) - ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) - // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). - ch_bbnorm = SEQTK_MERGEPE.out.reads - .mix(ch_short_reads.filter { it[0].single_end }) - .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } - .groupTuple() - } - else { - ch_bbnorm = ch_short_reads - } - BBMAP_BBNORM(ch_bbnorm) - ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) - ch_short_reads_assembly = BBMAP_BBNORM.out.fastq + CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) + + // Ensure we don't have nests of nests so that structure is in form expected for assembly + ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> + def new_reads = meta.single_end ? reads[0] : reads.flatten() + [meta, new_reads] + } + + // Combine single run and multi-run-merged data + ch_short_reads = Channel.empty() + ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) + ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) + + if (params.bbnorm) { + if (params.coassemble_group) { + // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares + // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not + // accepting a mix of single end and pairs. + SEQTK_MERGEPE( + ch_short_reads.filter { !it[0].single_end } + ) + ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) + // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). + ch_bbnorm = SEQTK_MERGEPE.out.reads + .mix(ch_short_reads.filter { it[0].single_end }) + .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } + .groupTuple() } else { - ch_short_reads_assembly = ch_short_reads + ch_bbnorm = ch_short_reads } + BBMAP_BBNORM(ch_bbnorm) + ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) + ch_short_reads_assembly = BBMAP_BBNORM.out.fastq } else { - ch_short_reads = ch_raw_short_reads.map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } + ch_short_reads_assembly = ch_short_reads } emit: diff --git a/workflows/mag.nf b/workflows/mag.nf index 87397d97..d86aed57 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -200,16 +200,24 @@ workflow MAG { ================================================================================ */ - SHORTREAD_PREPROCESSING( - ch_raw_short_reads, - ch_host_fasta, - ch_phix_db_file, - ch_metaeuk_db - ) + if (!params.assembly_input) { + SHORTREAD_PREPROCESSING( + ch_raw_short_reads, + ch_host_fasta, + ch_phix_db_file, + ch_metaeuk_db + ) - ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) - ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads - ch_short_reads_assembly = SHORTREAD_PREPROCESSING.out.short_reads_assembly + ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) + ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads + ch_short_reads_assembly = SHORTREAD_PREPROCESSING.out.short_reads_assembly + } + else { + ch_short_reads = ch_raw_short_reads.map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } + } /* ================================================================================ From 745a6c1a6aede887b93465d29a56fa3bd9746af0 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Sun, 24 Nov 2024 20:57:33 +0100 Subject: [PATCH 45/87] Update Changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 98c1efbe..24ab3868 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -15,6 +15,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [#716](https://github.com/nf-core/mag/pull/692) - Make short read processing a subworkflow (added by @muabnezor) - [#708](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) ### `Dependencies` From 927371717e711af69625819409feca50fb079263 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Sun, 24 Nov 2024 21:04:46 +0100 Subject: [PATCH 46/87] remove include statements from main workflow --- workflows/mag.nf | 12 ------------ 1 file changed, 12 deletions(-) diff --git a/workflows/mag.nf b/workflows/mag.nf index d86aed57..7a9ae1f6 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -30,20 +30,12 @@ include { SHORTREAD_PREPROCESSING } from '../subwo // MODULE: Installed directly from nf-core/modules // include { ARIA2 as ARIA2_UNTAR } from '../modules/nf-core/aria2/main' -include { FASTQC as FASTQC_RAW } from '../modules/nf-core/fastqc/main' -include { FASTQC as FASTQC_TRIMMED } from '../modules/nf-core/fastqc/main' -include { SEQTK_MERGEPE } from '../modules/nf-core/seqtk/mergepe/main' -include { BBMAP_BBNORM } from '../modules/nf-core/bbmap/bbnorm/main' -include { FASTP } from '../modules/nf-core/fastp/main' -include { ADAPTERREMOVAL as ADAPTERREMOVAL_PE } from '../modules/nf-core/adapterremoval/main' -include { ADAPTERREMOVAL as ADAPTERREMOVAL_SE } from '../modules/nf-core/adapterremoval/main' include { UNTAR as CENTRIFUGEDB_UNTAR } from '../modules/nf-core/untar/main' include { CENTRIFUGE_CENTRIFUGE } from '../modules/nf-core/centrifuge/centrifuge/main' include { CENTRIFUGE_KREPORT } from '../modules/nf-core/centrifuge/kreport/main' include { KRONA_KRONADB } from '../modules/nf-core/krona/kronadb/main' include { KRONA_KTIMPORTTAXONOMY } from '../modules/nf-core/krona/ktimporttaxonomy/main' include { KRAKENTOOLS_KREPORT2KRONA as KREPORT2KRONA_CENTRIFUGE } from '../modules/nf-core/krakentools/kreport2krona/main' -include { CAT_FASTQ } from '../modules/nf-core/cat/fastq/main' include { MEGAHIT } from '../modules/nf-core/megahit/main' include { SPADES as METASPADES } from '../modules/nf-core/spades/main' include { SPADES as METASPADESHYBRID } from '../modules/nf-core/spades/main' @@ -57,10 +49,6 @@ include { METAEUK_EASYPREDICT } from '../modul // // MODULE: Local to the pipeline // -include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_HOST_REMOVAL_BUILD } from '../modules/local/bowtie2_removal_build' -include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_HOST_REMOVAL_ALIGN } from '../modules/local/bowtie2_removal_align' -include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_PHIX_REMOVAL_BUILD } from '../modules/local/bowtie2_removal_build' -include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_PHIX_REMOVAL_ALIGN } from '../modules/local/bowtie2_removal_align' include { KRAKEN2_DB_PREPARATION } from '../modules/local/kraken2_db_preparation' include { KRAKEN2 } from '../modules/local/kraken2' include { POOL_SINGLE_READS as POOL_SHORT_SINGLE_READS } from '../modules/local/pool_single_reads' From 16ba80864b80c500061766a81c204ddd8a33a258 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Mon, 25 Nov 2024 08:11:01 +0100 Subject: [PATCH 47/87] Move assembly-input logic back into shortread subworkflow. Make sure to always declare the ch_short_reads_assembly even if assembly-input --- subworkflows/local/shortread_preprocessing.nf | 235 +++++++++--------- workflows/mag.nf | 27 +- 2 files changed, 132 insertions(+), 130 deletions(-) diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf index 2181265d..f961584b 100644 --- a/subworkflows/local/shortread_preprocessing.nf +++ b/subworkflows/local/shortread_preprocessing.nf @@ -25,6 +25,7 @@ workflow SHORTREAD_PREPROCESSING { main: ch_versions = Channel.empty() ch_multiqc_files = Channel.empty() + ch_short_reads_assembly = Channel.empty() FASTQC_RAW( ch_raw_short_reads @@ -33,142 +34,150 @@ workflow SHORTREAD_PREPROCESSING { ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip) ch_bowtie2_removal_host_multiqc = Channel.empty() - if (!params.skip_clipping) { - if (params.clip_tool == 'fastp') { - FASTP( - ch_raw_short_reads, - [], - params.fastp_save_trimmed_fail, - [] - ) - ch_short_reads_prepped = FASTP.out.reads - ch_versions = ch_versions.mix(FASTP.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json) - - } - else if (params.clip_tool == 'adapterremoval') { + if (!params.assembly_input) { + if (!params.skip_clipping) { + if (params.clip_tool == 'fastp') { + FASTP( + ch_raw_short_reads, + [], + params.fastp_save_trimmed_fail, + [] + ) + ch_short_reads_prepped = FASTP.out.reads + ch_versions = ch_versions.mix(FASTP.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json) - // due to strange output file scheme in AR2, have to manually separate - // SE/PE to allow correct pulling of reads after. - ch_adapterremoval_in = ch_raw_short_reads.branch { - single: it[0]['single_end'] - paired: !it[0]['single_end'] } + else if (params.clip_tool == 'adapterremoval') { - ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) - ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) + // due to strange output file scheme in AR2, have to manually separate + // SE/PE to allow correct pulling of reads after. + ch_adapterremoval_in = ch_raw_short_reads.branch { + single: it[0]['single_end'] + paired: !it[0]['single_end'] + } - ch_short_reads_prepped = Channel.empty() - ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) + ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) + ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) - ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings) + ch_short_reads_prepped = Channel.empty() + ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) + + ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings) + } + } + else { + ch_short_reads_prepped = ch_raw_short_reads + } + + if (params.host_fasta) { + if (params.host_fasta_bowtie2index) { + ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) + } + else { + BOWTIE2_HOST_REMOVAL_BUILD( + ch_host_fasta + ) + ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index + } } - } - else { - ch_short_reads_prepped = ch_raw_short_reads - } - if (params.host_fasta) { - if (params.host_fasta_bowtie2index) { - ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) + if (params.host_fasta || params.host_genome) { + BOWTIE2_HOST_REMOVAL_ALIGN( + ch_short_reads_prepped, + ch_host_bowtie2index + ) + ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log) } else { - BOWTIE2_HOST_REMOVAL_BUILD( - ch_host_fasta + ch_short_reads_hostremoved = ch_short_reads_prepped + } + + if (!params.keep_phix) { + BOWTIE2_PHIX_REMOVAL_BUILD( + ch_phix_db_file ) - ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index + BOWTIE2_PHIX_REMOVAL_ALIGN( + ch_short_reads_hostremoved, + BOWTIE2_PHIX_REMOVAL_BUILD.out.index + ) + ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log) + } + else { + ch_short_reads_phixremoved = ch_short_reads_hostremoved } - } - if (params.host_fasta || params.host_genome) { - BOWTIE2_HOST_REMOVAL_ALIGN( - ch_short_reads_prepped, - ch_host_bowtie2index - ) - ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads - ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log) - } - else { - ch_short_reads_hostremoved = ch_short_reads_prepped - } + if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { + FASTQC_TRIMMED( + ch_short_reads_phixremoved + ) + ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip) + } - if (!params.keep_phix) { - BOWTIE2_PHIX_REMOVAL_BUILD( - ch_phix_db_file - ) - BOWTIE2_PHIX_REMOVAL_ALIGN( - ch_short_reads_hostremoved, - BOWTIE2_PHIX_REMOVAL_BUILD.out.index - ) - ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads - ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log) - } - else { - ch_short_reads_phixremoved = ch_short_reads_hostremoved - } + // Run/Lane merging - if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { - FASTQC_TRIMMED( - ch_short_reads_phixremoved - ) - ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) - ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip) - } + ch_short_reads_forcat = ch_short_reads_phixremoved + .map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } + .groupTuple() + .branch { meta, reads -> + cat: reads.size() >= 2 + skip_cat: true + } - // Run/Lane merging + CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) - ch_short_reads_forcat = ch_short_reads_phixremoved - .map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } - .groupTuple() - .branch { meta, reads -> - cat: reads.size() >= 2 - skip_cat: true + // Ensure we don't have nests of nests so that structure is in form expected for assembly + ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> + def new_reads = meta.single_end ? reads[0] : reads.flatten() + [meta, new_reads] } - CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) - - // Ensure we don't have nests of nests so that structure is in form expected for assembly - ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> - def new_reads = meta.single_end ? reads[0] : reads.flatten() - [meta, new_reads] - } - - // Combine single run and multi-run-merged data - ch_short_reads = Channel.empty() - ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) - ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) - - if (params.bbnorm) { - if (params.coassemble_group) { - // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares - // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not - // accepting a mix of single end and pairs. - SEQTK_MERGEPE( - ch_short_reads.filter { !it[0].single_end } - ) - ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) - // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). - ch_bbnorm = SEQTK_MERGEPE.out.reads - .mix(ch_short_reads.filter { it[0].single_end }) - .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } - .groupTuple() + // Combine single run and multi-run-merged data + ch_short_reads = Channel.empty() + ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) + ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) + + if (params.bbnorm) { + if (params.coassemble_group) { + // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares + // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not + // accepting a mix of single end and pairs. + SEQTK_MERGEPE( + ch_short_reads.filter { !it[0].single_end } + ) + ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) + // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). + ch_bbnorm = SEQTK_MERGEPE.out.reads + .mix(ch_short_reads.filter { it[0].single_end }) + .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } + .groupTuple() + } + else { + ch_bbnorm = ch_short_reads + } + BBMAP_BBNORM(ch_bbnorm) + ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) + ch_short_reads_assembly = BBMAP_BBNORM.out.fastq } else { - ch_bbnorm = ch_short_reads + ch_short_reads_assembly = ch_short_reads } - BBMAP_BBNORM(ch_bbnorm) - ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) - ch_short_reads_assembly = BBMAP_BBNORM.out.fastq } else { - ch_short_reads_assembly = ch_short_reads + ch_short_reads = ch_raw_short_reads.map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } } emit: diff --git a/workflows/mag.nf b/workflows/mag.nf index 7a9ae1f6..97b5c4ca 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -188,24 +188,17 @@ workflow MAG { ================================================================================ */ - if (!params.assembly_input) { - SHORTREAD_PREPROCESSING( - ch_raw_short_reads, - ch_host_fasta, - ch_phix_db_file, - ch_metaeuk_db - ) + SHORTREAD_PREPROCESSING( + ch_raw_short_reads, + ch_host_fasta, + ch_phix_db_file, + ch_metaeuk_db + ) + + ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) + ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads + ch_short_reads_assembly = SHORTREAD_PREPROCESSING.out.short_reads_assembly - ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) - ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads - ch_short_reads_assembly = SHORTREAD_PREPROCESSING.out.short_reads_assembly - } - else { - ch_short_reads = ch_raw_short_reads.map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } - } /* ================================================================================ From f2507b25cb997fde073c0ab81bc5a9b10dd9e57e Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Mon, 25 Nov 2024 09:27:12 +0100 Subject: [PATCH 48/87] Format include statements --- subworkflows/local/shortread_preprocessing.nf | 24 +++++++++---------- 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf index f961584b..9b7314ff 100644 --- a/subworkflows/local/shortread_preprocessing.nf +++ b/subworkflows/local/shortread_preprocessing.nf @@ -2,18 +2,18 @@ * SHORTREAD_PREPROCESSING: Preprocessing and QC for short reads */ -include { FASTQC as FASTQC_RAW } from '../../modules/nf-core/fastqc/main' -include { FASTQC as FASTQC_TRIMMED } from '../../modules/nf-core/fastqc/main' -include { FASTP } from '../../modules/nf-core/fastp/main' -include { ADAPTERREMOVAL as ADAPTERREMOVAL_PE } from '../../modules/nf-core/adapterremoval/main' -include { ADAPTERREMOVAL as ADAPTERREMOVAL_SE } from '../../modules/nf-core/adapterremoval/main' -include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_HOST_REMOVAL_BUILD } from '../../modules/local/bowtie2_removal_build' -include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_HOST_REMOVAL_ALIGN } from '../../modules/local/bowtie2_removal_align' -include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_PHIX_REMOVAL_BUILD } from '../../modules/local/bowtie2_removal_build' -include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_PHIX_REMOVAL_ALIGN } from '../../modules/local/bowtie2_removal_align' -include { CAT_FASTQ } from '../../modules/nf-core/cat/fastq/main' -include { SEQTK_MERGEPE } from '../../modules/nf-core/seqtk/mergepe/main' -include { BBMAP_BBNORM } from '../..//modules/nf-core/bbmap/bbnorm/main' +include { FASTQC as FASTQC_RAW } from '../../modules/nf-core/fastqc/main' +include { FASTQC as FASTQC_TRIMMED } from '../../modules/nf-core/fastqc/main' +include { FASTP } from '../../modules/nf-core/fastp/main' +include { ADAPTERREMOVAL as ADAPTERREMOVAL_PE } from '../../modules/nf-core/adapterremoval/main' +include { ADAPTERREMOVAL as ADAPTERREMOVAL_SE } from '../../modules/nf-core/adapterremoval/main' +include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_HOST_REMOVAL_BUILD } from '../../modules/local/bowtie2_removal_build' +include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_HOST_REMOVAL_ALIGN } from '../../modules/local/bowtie2_removal_align' +include { BOWTIE2_REMOVAL_BUILD as BOWTIE2_PHIX_REMOVAL_BUILD } from '../../modules/local/bowtie2_removal_build' +include { BOWTIE2_REMOVAL_ALIGN as BOWTIE2_PHIX_REMOVAL_ALIGN } from '../../modules/local/bowtie2_removal_align' +include { CAT_FASTQ } from '../../modules/nf-core/cat/fastq/main' +include { SEQTK_MERGEPE } from '../../modules/nf-core/seqtk/mergepe/main' +include { BBMAP_BBNORM } from '../../modules/nf-core/bbmap/bbnorm/main' workflow SHORTREAD_PREPROCESSING { take: From 0b3c9ba731ff866198da10b9a911670c3d8a29da Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Mon, 25 Nov 2024 10:37:44 +0100 Subject: [PATCH 49/87] Move assembly-input logic back to main workflow --- subworkflows/local/shortread_preprocessing.nf | 235 +++++++++--------- workflows/mag.nf | 32 ++- 2 files changed, 132 insertions(+), 135 deletions(-) diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf index 9b7314ff..53f5e7c1 100644 --- a/subworkflows/local/shortread_preprocessing.nf +++ b/subworkflows/local/shortread_preprocessing.nf @@ -25,7 +25,6 @@ workflow SHORTREAD_PREPROCESSING { main: ch_versions = Channel.empty() ch_multiqc_files = Channel.empty() - ch_short_reads_assembly = Channel.empty() FASTQC_RAW( ch_raw_short_reads @@ -34,150 +33,142 @@ workflow SHORTREAD_PREPROCESSING { ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip) ch_bowtie2_removal_host_multiqc = Channel.empty() - if (!params.assembly_input) { - if (!params.skip_clipping) { - if (params.clip_tool == 'fastp') { - FASTP( - ch_raw_short_reads, - [], - params.fastp_save_trimmed_fail, - [] - ) - ch_short_reads_prepped = FASTP.out.reads - ch_versions = ch_versions.mix(FASTP.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json) + if (!params.skip_clipping) { + if (params.clip_tool == 'fastp') { + FASTP( + ch_raw_short_reads, + [], + params.fastp_save_trimmed_fail, + [] + ) + ch_short_reads_prepped = FASTP.out.reads + ch_versions = ch_versions.mix(FASTP.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(FASTP.out.json) - } - else if (params.clip_tool == 'adapterremoval') { + } + else if (params.clip_tool == 'adapterremoval') { - // due to strange output file scheme in AR2, have to manually separate - // SE/PE to allow correct pulling of reads after. - ch_adapterremoval_in = ch_raw_short_reads.branch { - single: it[0]['single_end'] - paired: !it[0]['single_end'] - } + // due to strange output file scheme in AR2, have to manually separate + // SE/PE to allow correct pulling of reads after. + ch_adapterremoval_in = ch_raw_short_reads.branch { + single: it[0]['single_end'] + paired: !it[0]['single_end'] + } - ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) - ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) + ADAPTERREMOVAL_PE(ch_adapterremoval_in.paired, []) + ADAPTERREMOVAL_SE(ch_adapterremoval_in.single, []) - ch_short_reads_prepped = Channel.empty() - ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) + ch_short_reads_prepped = Channel.empty() + ch_short_reads_prepped = ch_short_reads_prepped.mix(ADAPTERREMOVAL_SE.out.singles_truncated, ADAPTERREMOVAL_PE.out.paired_truncated) - ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings) - ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings) - } - } - else { - ch_short_reads_prepped = ch_raw_short_reads - } - - if (params.host_fasta) { - if (params.host_fasta_bowtie2index) { - ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) - } - else { - BOWTIE2_HOST_REMOVAL_BUILD( - ch_host_fasta - ) - ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index - } + ch_versions = ch_versions.mix(ADAPTERREMOVAL_PE.out.versions.first(), ADAPTERREMOVAL_SE.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_PE.out.settings) + ch_multiqc_files = ch_multiqc_files.mix(ADAPTERREMOVAL_SE.out.settings) } + } + else { + ch_short_reads_prepped = ch_raw_short_reads + } - if (params.host_fasta || params.host_genome) { - BOWTIE2_HOST_REMOVAL_ALIGN( - ch_short_reads_prepped, - ch_host_bowtie2index - ) - ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads - ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log) + if (params.host_fasta) { + if (params.host_fasta_bowtie2index) { + ch_host_bowtie2index = file(params.host_fasta_bowtie2index, checkIfExists: true) } else { - ch_short_reads_hostremoved = ch_short_reads_prepped - } - - if (!params.keep_phix) { - BOWTIE2_PHIX_REMOVAL_BUILD( - ch_phix_db_file + BOWTIE2_HOST_REMOVAL_BUILD( + ch_host_fasta ) - BOWTIE2_PHIX_REMOVAL_ALIGN( - ch_short_reads_hostremoved, - BOWTIE2_PHIX_REMOVAL_BUILD.out.index - ) - ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads - ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) - ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log) - } - else { - ch_short_reads_phixremoved = ch_short_reads_hostremoved + ch_host_bowtie2index = BOWTIE2_HOST_REMOVAL_BUILD.out.index } + } - if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { - FASTQC_TRIMMED( - ch_short_reads_phixremoved - ) - ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) - ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip) - } + if (params.host_fasta || params.host_genome) { + BOWTIE2_HOST_REMOVAL_ALIGN( + ch_short_reads_prepped, + ch_host_bowtie2index + ) + ch_short_reads_hostremoved = BOWTIE2_HOST_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_HOST_REMOVAL_ALIGN.out.log) + } + else { + ch_short_reads_hostremoved = ch_short_reads_prepped + } - // Run/Lane merging + if (!params.keep_phix) { + BOWTIE2_PHIX_REMOVAL_BUILD( + ch_phix_db_file + ) + BOWTIE2_PHIX_REMOVAL_ALIGN( + ch_short_reads_hostremoved, + BOWTIE2_PHIX_REMOVAL_BUILD.out.index + ) + ch_short_reads_phixremoved = BOWTIE2_PHIX_REMOVAL_ALIGN.out.reads + ch_versions = ch_versions.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.versions.first()) + ch_multiqc_files = ch_multiqc_files.mix(BOWTIE2_PHIX_REMOVAL_ALIGN.out.log) + } + else { + ch_short_reads_phixremoved = ch_short_reads_hostremoved + } - ch_short_reads_forcat = ch_short_reads_phixremoved - .map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } - .groupTuple() - .branch { meta, reads -> - cat: reads.size() >= 2 - skip_cat: true - } + if (!(params.keep_phix && params.skip_clipping && !(params.host_genome || params.host_fasta))) { + FASTQC_TRIMMED( + ch_short_reads_phixremoved + ) + ch_versions = ch_versions.mix(FASTQC_TRIMMED.out.versions) + ch_multiqc_files = ch_multiqc_files.mix(FASTQC_TRIMMED.out.zip) + } - CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) + // Run/Lane merging - // Ensure we don't have nests of nests so that structure is in form expected for assembly - ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> - def new_reads = meta.single_end ? reads[0] : reads.flatten() - [meta, new_reads] + ch_short_reads_forcat = ch_short_reads_phixremoved + .map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } + .groupTuple() + .branch { meta, reads -> + cat: reads.size() >= 2 + skip_cat: true } - // Combine single run and multi-run-merged data - ch_short_reads = Channel.empty() - ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) - ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) - - if (params.bbnorm) { - if (params.coassemble_group) { - // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares - // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not - // accepting a mix of single end and pairs. - SEQTK_MERGEPE( - ch_short_reads.filter { !it[0].single_end } - ) - ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) - // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). - ch_bbnorm = SEQTK_MERGEPE.out.reads - .mix(ch_short_reads.filter { it[0].single_end }) - .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } - .groupTuple() - } - else { - ch_bbnorm = ch_short_reads - } - BBMAP_BBNORM(ch_bbnorm) - ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) - ch_short_reads_assembly = BBMAP_BBNORM.out.fastq + CAT_FASTQ(ch_short_reads_forcat.cat.map { meta, reads -> [meta, reads.flatten()] }) + + // Ensure we don't have nests of nests so that structure is in form expected for assembly + ch_short_reads_catskipped = ch_short_reads_forcat.skip_cat.map { meta, reads -> + def new_reads = meta.single_end ? reads[0] : reads.flatten() + [meta, new_reads] + } + + // Combine single run and multi-run-merged data + ch_short_reads = Channel.empty() + ch_short_reads = CAT_FASTQ.out.reads.mix(ch_short_reads_catskipped) + ch_versions = ch_versions.mix(CAT_FASTQ.out.versions.first()) + + if (params.bbnorm) { + if (params.coassemble_group) { + // Interleave pairs, to be able to treat them as single ends when calling bbnorm. This prepares + // for dropping the single_end parameter, but keeps assembly modules as they are, i.e. not + // accepting a mix of single end and pairs. + SEQTK_MERGEPE( + ch_short_reads.filter { !it[0].single_end } + ) + ch_versions = ch_versions.mix(SEQTK_MERGEPE.out.versions.first()) + // Combine the interleaved pairs with any single end libraries. Set the meta.single_end to true (used by the bbnorm module). + ch_bbnorm = SEQTK_MERGEPE.out.reads + .mix(ch_short_reads.filter { it[0].single_end }) + .map { [[id: sprintf("group%s", it[0].group), group: it[0].group, single_end: true], it[1]] } + .groupTuple() } else { - ch_short_reads_assembly = ch_short_reads + ch_bbnorm = ch_short_reads } + BBMAP_BBNORM(ch_bbnorm) + ch_versions = ch_versions.mix(BBMAP_BBNORM.out.versions) + ch_short_reads_assembly = BBMAP_BBNORM.out.fastq } else { - ch_short_reads = ch_raw_short_reads.map { meta, reads -> - def meta_new = meta - meta.subMap('run') - [meta_new, reads] - } + ch_short_reads_assembly = ch_short_reads } emit: diff --git a/workflows/mag.nf b/workflows/mag.nf index 97b5c4ca..7f4ae3ec 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -188,17 +188,26 @@ workflow MAG { ================================================================================ */ - SHORTREAD_PREPROCESSING( - ch_raw_short_reads, - ch_host_fasta, - ch_phix_db_file, - ch_metaeuk_db - ) + if (!params.assembly_input) { + SHORTREAD_PREPROCESSING( + ch_raw_short_reads, + ch_host_fasta, + ch_phix_db_file, + ch_metaeuk_db + ) - ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) - ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads - ch_short_reads_assembly = SHORTREAD_PREPROCESSING.out.short_reads_assembly + ch_versions = ch_versions.mix(SHORTREAD_PREPROCESSING.out.versions) + ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_PREPROCESSING.out.multiqc_files.collect { it[1] }.ifEmpty([])) + ch_short_reads = SHORTREAD_PREPROCESSING.out.short_reads + ch_short_reads_assembly = SHORTREAD_PREPROCESSING.out.short_reads_assembly + } + else { + ch_short_reads = ch_raw_short_reads.map { meta, reads -> + def meta_new = meta - meta.subMap('run') + [meta_new, reads] + } + } /* ================================================================================ @@ -213,6 +222,7 @@ workflow MAG { ) ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions) + ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.multiqc_files.collect { it[1] }.ifEmpty([])) ch_long_reads = LONGREAD_PREPROCESSING.out.long_reads /* @@ -869,10 +879,6 @@ workflow MAG { ) ) - // Add all files from preprocessing to the MultiQC input channel - ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_PREPROCESSING.out.multiqc_files.collect { it[1] }.ifEmpty([])) - ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.multiqc_files.collect { it[1] }.ifEmpty([])) - ch_multiqc_files = ch_multiqc_files.mix(CENTRIFUGE_KREPORT.out.kreport.collect { it[1] }.ifEmpty([])) ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2.out.report.collect { it[1] }.ifEmpty([])) From 3158c5243e3eb4ca924e5e3df8c8e19aa3f3c866 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Tue, 26 Nov 2024 23:32:44 -0300 Subject: [PATCH 50/87] Address several review comments --- conf/modules.config | 3 +- docs/output.md | 4 +- .../nf-core/checkm2/databasedownload/meta.yml | 2 +- nextflow.config | 2 +- nextflow_schema.json | 2 +- subworkflows/local/bin_qc.nf | 52 +++++++++---------- 6 files changed, 33 insertions(+), 32 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 34d67480..bcad2756 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -435,7 +435,8 @@ process { publishDir = [ path: { "${params.outdir}/GenomeBinning/QC/CheckM2/checkm2_downloads" }, mode: params.publish_dir_mode, overwrite: false, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.save_checkm2_data + saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, + enabled: params.save_checkm2_data ] } diff --git a/docs/output.md b/docs/output.md index eea1ba38..b4d487e4 100644 --- a/docs/output.md +++ b/docs/output.md @@ -583,14 +583,14 @@ If the parameter `--save_checkm_reference` is set, additionally the used the Che #### CheckM2 -[CheckM2](https://github.com/chklovski/CheckM2) is atool for assessing the quality of metagenome-derived genomes. It uses a machine learning approach to predict the completeness and contamination of a genome regardless of its taxonomic lineage. +[CheckM2](https://github.com/chklovski/CheckM2) is a tool for assessing the quality of metagenome-derived genomes. It uses a machine learning approach to predict the completeness and contamination of a genome regardless of its taxonomic lineage.
Output files - `GenomeBinning/QC/CheckM2/` - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]/quality_report.tsv`: Detailed statistics about bins informing completeness and contamamination scores. This should normally be your main file to use to evaluate your results. - - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]/`: Intermediate files for CheckM2 results, including CheckM2 generated annotations, log, and Diamond alignment results. + - `[assembler]-[binner]-[domain]-[refinement]-[sample/group]/`: Intermediate files for CheckM2 results, including CheckM2 generated annotations, log, and DIAMOND alignment results. - `GenomeBinning/QC/` - `checkm2_summary.tsv`: A summary table of the CheckM2 results for all bins. diff --git a/modules/nf-core/checkm2/databasedownload/meta.yml b/modules/nf-core/checkm2/databasedownload/meta.yml index 632b4922..b79ccfc6 100644 --- a/modules/nf-core/checkm2/databasedownload/meta.yml +++ b/modules/nf-core/checkm2/databasedownload/meta.yml @@ -20,7 +20,7 @@ tools: input: - - db_zenodo_id: type: integer - description: Zenodo ID of the CheckM2 database to download + description: Zenodo record ID of the CheckM2 database to download output: - database: diff --git a/nextflow.config b/nextflow.config index c1d8d896..cdb2d9f0 100644 --- a/nextflow.config +++ b/nextflow.config @@ -136,7 +136,7 @@ params { checkm_db = null save_checkm_data = false checkm2_db = null - checkm2_db_version = 5571251 + checkm2_db_version = 5571251 // corresponds to Zenodo record ID save_checkm2_data = false run_gunc = false gunc_database_type = 'progenomes' diff --git a/nextflow_schema.json b/nextflow_schema.json index ae2be3ed..0616173d 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -783,7 +783,7 @@ "checkm2_db_version": { "type": "integer", "default": 5571251, - "description": "CheckM2 database version number to download (Zenodo ID, for reference check https://zenodo.org/records/5571251)." + "description": "CheckM2 database version number to download (Zenodo record ID, for reference check https://zenodo.org/records/5571251)." }, "save_checkm2_data": { "type": "boolean", diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index c1b5ace6..1211c36c 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -2,26 +2,26 @@ * BUSCO/CheckM/CheckM2/GUNC: Quantitative measures for the assessment of genome assembly */ -include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' -include { BUSCO } from '../../modules/local/busco' -include { BUSCO_SAVE_DOWNLOAD } from '../../modules/local/busco_save_download' -include { BUSCO_SUMMARY } from '../../modules/local/busco_summary' -include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' -include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' -include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' -include { COMBINE_TSV as COMBINE_BINQC_TSV } from '../../modules/local/combine_tsv' -include { GUNC_DOWNLOADDB } from '../../modules/nf-core/gunc/downloaddb/main' -include { GUNC_RUN } from '../../modules/nf-core/gunc/run/main' -include { GUNC_MERGECHECKM } from '../../modules/nf-core/gunc/mergecheckm/main' +include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' +include { BUSCO } from '../../modules/local/busco' +include { BUSCO_SAVE_DOWNLOAD } from '../../modules/local/busco_save_download' +include { BUSCO_SUMMARY } from '../../modules/local/busco_summary' +include { CHECKM_QA } from '../../modules/nf-core/checkm/qa/main' +include { CHECKM_LINEAGEWF } from '../../modules/nf-core/checkm/lineagewf/main' +include { CHECKM2_PREDICT } from '../../modules/nf-core/checkm2/predict/main' +include { COMBINE_TSV as COMBINE_BINQC_TSV } from '../../modules/local/combine_tsv' +include { GUNC_DOWNLOADDB } from '../../modules/nf-core/gunc/downloaddb/main' +include { GUNC_RUN } from '../../modules/nf-core/gunc/run/main' +include { GUNC_MERGECHECKM } from '../../modules/nf-core/gunc/mergecheckm/main' workflow BIN_QC { take: - ch_bins // [ [ meta] , fasta ], input bins (mandatory) - ch_checkm_db // [ db ], presupplied CheckM database (optional) - ch_checkm2_db // [ [meta] , db ], presupplied CheckM2 database (optional) - ch_busco_db // [ [meta] , db ], presupplied BUSCO database (optional) - ch_gunc_db // [ db ], presupplied GUNC database (optional) + ch_bins // [ [ meta] , fasta ], input bins (mandatory) + ch_checkm_db // [ db ], presupplied CheckM database (optional) + ch_checkm2_db // [ [meta] , db ], presupplied CheckM2 database (optional) + ch_busco_db // [ [meta] , db ], presupplied BUSCO database (optional) + ch_gunc_db // [ db ], presupplied GUNC database (optional) main: qc_summary = [] @@ -73,9 +73,9 @@ workflow BIN_QC { BUSCO(ch_input_bins_for_qc, ch_db_for_busco) BUSCO_SUMMARY( - BUSCO.out.summary_domain.collect { v -> v[1] }.ifEmpty([]), - BUSCO.out.summary_specific.collect { v -> v[1] }.ifEmpty([]), - BUSCO.out.failed_bin.collect { v -> v[1] }.ifEmpty([]) + BUSCO.out.summary_domain.collect { _meta, summary -> summary }.ifEmpty([]), + BUSCO.out.summary_specific.collect { _meta, summary -> summary }.ifEmpty([]), + BUSCO.out.failed_bin.collect { _meta, summary -> summary }.ifEmpty([]) ) ch_multiqc_files = ch_multiqc_files.mix( @@ -109,7 +109,7 @@ workflow BIN_QC { CHECKM_QA(ch_checkmqa_input, []) - COMBINE_BINQC_TSV(CHECKM_QA.out.output.collect { v -> v[1] }) + COMBINE_BINQC_TSV(CHECKM_QA.out.output.collect { summary -> summary[1] }) qc_summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) @@ -120,7 +120,7 @@ workflow BIN_QC { */ CHECKM2_PREDICT(ch_input_bins_for_qc.groupTuple(), ch_checkm2_db) - COMBINE_BINQC_TSV(CHECKM2_PREDICT.out.checkm2_tsv.collect { v -> v[1] }) + COMBINE_BINQC_TSV(CHECKM2_PREDICT.out.checkm2_tsv.collect { summary -> summary[1] }) qc_summary = COMBINE_BINQC_TSV.out.combined ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) @@ -151,7 +151,7 @@ workflow BIN_QC { // Make sure to keep directory in sync with modules.conf GUNC_RUN.out.maxcss_level_tsv - .map { v -> v[1] } + .map { _meta, gunc_summary -> gunc_summary } .collectFile( name: "gunc_summary.tsv", keepHeader: true, @@ -166,7 +166,7 @@ workflow BIN_QC { // Make sure to keep directory in sync with modules.conf GUNC_MERGECHECKM.out.tsv - .map { v -> v[1] } + .map { _meta, gunc_checkm_summary -> gunc_checkm_summary } .collectFile( name: "gunc_checkm_summary.tsv", keepHeader: true, @@ -176,7 +176,7 @@ workflow BIN_QC { } emit: - qc_summary = qc_summary - multiqc_files = ch_multiqc_files - versions = ch_versions + qc_summary = qc_summary + multiqc_files = ch_multiqc_files + versions = ch_versions } From 6152696abd8cccdccf265890cd75e77aece30cad Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Tue, 26 Nov 2024 23:34:31 -0300 Subject: [PATCH 51/87] Update modules --- modules.json | 8 +- .../nf-core/checkm/lineagewf/environment.yml | 5 + modules/nf-core/checkm/lineagewf/main.nf | 36 ++-- modules/nf-core/checkm/lineagewf/meta.yml | 96 ++++++---- .../checkm/lineagewf/tests/main.nf.test | 61 ++++++ .../checkm/lineagewf/tests/main.nf.test.snap | 99 ++++++++++ .../nf-core/checkm/lineagewf/tests/tags.yml | 2 + modules/nf-core/checkm/qa/environment.yml | 5 + modules/nf-core/checkm/qa/main.nf | 33 ++-- modules/nf-core/checkm/qa/meta.yml | 91 +++++---- modules/nf-core/checkm/qa/tests/main.nf.test | 88 +++++++++ .../nf-core/checkm/qa/tests/main.nf.test.snap | 96 ++++++++++ modules/nf-core/checkm/qa/tests/tags.yml | 3 + .../nf-core/gunc/mergecheckm/environment.yml | 6 + modules/nf-core/gunc/mergecheckm/main.nf | 16 +- modules/nf-core/gunc/mergecheckm/meta.yml | 61 +++--- .../gunc/mergecheckm/tests/main.nf.test | 175 ++++++++++++++++++ .../gunc/mergecheckm/tests/main.nf.test.snap | 68 +++++++ .../gunc/mergecheckm/tests/nextflow.config | 5 + .../nf-core/gunc/mergecheckm/tests/tags.yml | 6 + modules/nf-core/gunc/run/environment.yml | 6 + modules/nf-core/gunc/run/main.nf | 21 ++- modules/nf-core/gunc/run/meta.yml | 75 ++++---- modules/nf-core/gunc/run/tests/main.nf.test | 96 ++++++++++ .../nf-core/gunc/run/tests/main.nf.test.snap | 90 +++++++++ modules/nf-core/gunc/run/tests/tags.yml | 3 + 26 files changed, 1076 insertions(+), 175 deletions(-) create mode 100644 modules/nf-core/checkm/lineagewf/environment.yml create mode 100644 modules/nf-core/checkm/lineagewf/tests/main.nf.test create mode 100644 modules/nf-core/checkm/lineagewf/tests/main.nf.test.snap create mode 100644 modules/nf-core/checkm/lineagewf/tests/tags.yml create mode 100644 modules/nf-core/checkm/qa/environment.yml create mode 100644 modules/nf-core/checkm/qa/tests/main.nf.test create mode 100644 modules/nf-core/checkm/qa/tests/main.nf.test.snap create mode 100644 modules/nf-core/checkm/qa/tests/tags.yml create mode 100644 modules/nf-core/gunc/mergecheckm/environment.yml create mode 100644 modules/nf-core/gunc/mergecheckm/tests/main.nf.test create mode 100644 modules/nf-core/gunc/mergecheckm/tests/main.nf.test.snap create mode 100644 modules/nf-core/gunc/mergecheckm/tests/nextflow.config create mode 100644 modules/nf-core/gunc/mergecheckm/tests/tags.yml create mode 100644 modules/nf-core/gunc/run/environment.yml create mode 100644 modules/nf-core/gunc/run/tests/main.nf.test create mode 100644 modules/nf-core/gunc/run/tests/main.nf.test.snap create mode 100644 modules/nf-core/gunc/run/tests/tags.yml diff --git a/modules.json b/modules.json index 8a7a3ef3..64f8d479 100644 --- a/modules.json +++ b/modules.json @@ -54,12 +54,12 @@ }, "checkm/lineagewf": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "3ea318161b8788623cec477bde0f089180b2245b", "installed_by": ["modules"] }, "checkm/qa": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "3ea318161b8788623cec477bde0f089180b2245b", "installed_by": ["modules"] }, "checkm2/databasedownload": { @@ -154,12 +154,12 @@ }, "gunc/mergecheckm": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "b6515a01897b11b64b3368858c0359b4c813ad1e", "installed_by": ["modules"] }, "gunc/run": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "b6515a01897b11b64b3368858c0359b4c813ad1e", "installed_by": ["modules"] }, "gunzip": { diff --git a/modules/nf-core/checkm/lineagewf/environment.yml b/modules/nf-core/checkm/lineagewf/environment.yml new file mode 100644 index 00000000..1b870502 --- /dev/null +++ b/modules/nf-core/checkm/lineagewf/environment.yml @@ -0,0 +1,5 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::checkm-genome=1.2.3 diff --git a/modules/nf-core/checkm/lineagewf/main.nf b/modules/nf-core/checkm/lineagewf/main.nf index d8674ddc..67fd8f35 100644 --- a/modules/nf-core/checkm/lineagewf/main.nf +++ b/modules/nf-core/checkm/lineagewf/main.nf @@ -2,10 +2,10 @@ process CHECKM_LINEAGEWF { tag "$meta.id" label 'process_medium' - conda "bioconda::checkm-genome=1.2.1" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.1--pyhdfd78af_0' : - 'biocontainers/checkm-genome:1.2.1--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.3--pyhdfd78af_1' : + 'biocontainers/checkm-genome:1.2.3--pyhdfd78af_1' }" input: tuple val(meta), path(fasta, stageAs: "input_bins/*") @@ -22,22 +22,34 @@ process CHECKM_LINEAGEWF { task.ext.when == null || task.ext.when script: - def args = task.ext.args ?: '' - prefix = task.ext.prefix ?: "${meta.id}" - checkm_db = db ? "export CHECKM_DATA_PATH=${db}" : "" + def args = task.ext.args ?: '' + def checkm_db = db ? "export CHECKM_DATA_PATH=${db}" : "" + prefix = task.ext.prefix ?: "${meta.id}" """ - $checkm_db + ${checkm_db} checkm \\ lineage_wf \\ - -t $task.cpus \\ + -t ${task.cpus} \\ -f ${prefix}.tsv \\ --tab_table \\ - --pplacer_threads $task.cpus \\ - -x $fasta_ext \\ - $args \\ + --pplacer_threads ${task.cpus} \\ + -x ${fasta_ext} \\ + ${args} \\ input_bins/ \\ - $prefix + ${prefix} + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) + END_VERSIONS + """ + + stub: + prefix = task.ext.prefix ?: "${meta.id}" + """ + mkdir ${prefix}/ + touch ${prefix}/lineage.ms ${prefix}.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": diff --git a/modules/nf-core/checkm/lineagewf/meta.yml b/modules/nf-core/checkm/lineagewf/meta.yml index 4716a3e9..e32441d2 100644 --- a/modules/nf-core/checkm/lineagewf/meta.yml +++ b/modules/nf-core/checkm/lineagewf/meta.yml @@ -1,5 +1,6 @@ name: checkm_lineagewf -description: CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. +description: CheckM provides a set of tools for assessing the quality of genomes recovered + from isolates, single cells, or metagenomes. keywords: - checkm - mag @@ -14,52 +15,69 @@ keywords: - genome bins tools: - checkm: - description: Assess the quality of microbial genomes recovered from isolates, single cells, and metagenomes. + description: Assess the quality of microbial genomes recovered from isolates, + single cells, and metagenomes. homepage: https://ecogenomics.github.io/CheckM/ documentation: https://github.com/Ecogenomics/CheckM/wiki tool_dev_url: https://github.com/Ecogenomics/CheckM doi: "10.1101/gr.186072.114" licence: ["GPL v3"] - + identifier: biotools:checkm input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - fasta: - type: file - description: One or a list of multiple FASTA files of each bin, with extension defined with the fasta_ext value - pattern: "*.{$fasta_ext}" - - fasta_ext: - type: value - description: The file-type extension suffix of the input FASTA files (e.g., fasta, fna, fa, fas) - - db: - type: directory - description: Optional directory pointing to checkM database to prevent re-downloading - + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - fasta: + type: file + description: One or a list of multiple FASTA files of each bin, with extension + defined with the fasta_ext value + pattern: "*.{$fasta_ext}" + - - fasta_ext: + type: string + description: The file-type extension suffix of the input FASTA files (e.g., + fasta, fna, fa, fas) + - - db: + type: directory + description: Optional directory pointing to checkM database to prevent re-downloading output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'sample', bin:'1' ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - - checkm_output: - type: directory - description: CheckM output directory - pattern: "*/" - checkm_output: - type: file - description: Lineage markfer file - pattern: "lineage.ms" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample', bin:'1' ] + - ${prefix}: + type: directory + description: CheckM output directory + pattern: "*/" + - marker_file: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample', bin:'1' ] + - ${prefix}/lineage.ms: + type: file + description: Lineage file + pattern: "*.ms" - checkm_tsv: - type: file - description: CheckM summary completeness statistics table - pattern: "*.tsv" - + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'sample', bin:'1' ] + - ${prefix}.tsv: + type: file + description: CheckM summary completeness statistics table + pattern: "*.tsv" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@jfy133" +maintainers: + - "@jfy133" diff --git a/modules/nf-core/checkm/lineagewf/tests/main.nf.test b/modules/nf-core/checkm/lineagewf/tests/main.nf.test new file mode 100644 index 00000000..8d60100e --- /dev/null +++ b/modules/nf-core/checkm/lineagewf/tests/main.nf.test @@ -0,0 +1,61 @@ +nextflow_process { + name "Test Process CHECKM_LINEAGEWF" + script "../main.nf" + process "CHECKM_LINEAGEWF" + + tag "modules" + tag "modules_nfcore" + tag "checkm" + tag "checkm/lineagewf" + + test("checkm - lineage_wf") { + + when { + process { + """ + input[0] = [ + [ id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', checkIfExists: true) + ] + input[1] = 'fasta' + input[2] = [] // Download CheckM database + """ + } + } + + then { + assert process.success + assert file(process.out.checkm_output[0][1]).list().find { file(it).name == "checkm.log" } + assert snapshot( + path(process.out.marker_file[0][1]).readLines().any{it.contains("PF00312.17")}, + process.out.checkm_tsv, + process.out.versions + ).match() + } + + } + + test("stub") { + + options "-stub" + + when { + process { + """ + input[0] = [ + [ id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', checkIfExists: true) + ] + input[1] = 'fasta' + input[2] = [] // Download CheckM database + """ + } + } + + then { + assert process.success + assert snapshot(process.out).match() + } + + } +} diff --git a/modules/nf-core/checkm/lineagewf/tests/main.nf.test.snap b/modules/nf-core/checkm/lineagewf/tests/main.nf.test.snap new file mode 100644 index 00000000..6d6d7f75 --- /dev/null +++ b/modules/nf-core/checkm/lineagewf/tests/main.nf.test.snap @@ -0,0 +1,99 @@ +{ + "stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + [ + "lineage.ms:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "lineage.ms:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + [ + { + "id": "test", + "single_end": false + }, + "test.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "3": [ + "versions.yml:md5,08f99a3a9677aba1509cda63dcf5ce71" + ], + "checkm_output": [ + [ + { + "id": "test", + "single_end": false + }, + [ + "lineage.ms:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + ], + "checkm_tsv": [ + [ + { + "id": "test", + "single_end": false + }, + "test.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "marker_file": [ + [ + { + "id": "test", + "single_end": false + }, + "lineage.ms:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,08f99a3a9677aba1509cda63dcf5ce71" + ] + } + ], + "meta": { + "nf-test": "0.9.1", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-05T04:36:45.930077242" + }, + "checkm - lineage_wf": { + "content": [ + true, + [ + [ + { + "id": "test", + "single_end": false + }, + "test.tsv:md5,d5559764f563c4b55223e4e4a3dc1ec9" + ] + ], + [ + "versions.yml:md5,08f99a3a9677aba1509cda63dcf5ce71" + ] + ], + "meta": { + "nf-test": "0.9.1", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-05T04:27:36.491322471" + } +} \ No newline at end of file diff --git a/modules/nf-core/checkm/lineagewf/tests/tags.yml b/modules/nf-core/checkm/lineagewf/tests/tags.yml new file mode 100644 index 00000000..04438be8 --- /dev/null +++ b/modules/nf-core/checkm/lineagewf/tests/tags.yml @@ -0,0 +1,2 @@ +checkm/lineagewf: + - modules/nf-core/checkm/lineagewf/** diff --git a/modules/nf-core/checkm/qa/environment.yml b/modules/nf-core/checkm/qa/environment.yml new file mode 100644 index 00000000..1b870502 --- /dev/null +++ b/modules/nf-core/checkm/qa/environment.yml @@ -0,0 +1,5 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::checkm-genome=1.2.3 diff --git a/modules/nf-core/checkm/qa/main.nf b/modules/nf-core/checkm/qa/main.nf index b0c0e69a..0255d95c 100644 --- a/modules/nf-core/checkm/qa/main.nf +++ b/modules/nf-core/checkm/qa/main.nf @@ -1,11 +1,11 @@ process CHECKM_QA { - tag "$meta.id" + tag "${meta.id}" label 'process_low' - conda "bioconda::checkm-genome=1.2.1" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.1--pyhdfd78af_0' : - 'biocontainers/checkm-genome:1.2.1--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/checkm-genome:1.2.3--pyhdfd78af_1' : + 'biocontainers/checkm-genome:1.2.3--pyhdfd78af_1' }" input: tuple val(meta), path(analysis_dir), path(marker_file), path(coverage_file) @@ -23,18 +23,29 @@ process CHECKM_QA { def args = task.ext.args ?: '' prefix = task.ext.prefix ?: "${meta.id}" suffix = task.ext.args?.matches(".*-o 9.*|.*--out_file 9.*") ? "fasta" : "txt" - def coverage = coverage_file ? "--coverage_file ${coverage_file}" : "" - def exclude = exclude_marker_file ? "--exclude_markers ${marker_filer}" : "" + def coverage = coverage_file.isFile() ? "--coverage_file ${coverage_file}" : "" + def exclude = exclude_marker_file && exclude_marker_file.isFile() ? "--exclude_markers ${exclude_marker_file}" : "" """ checkm \\ qa \\ --threads ${task.cpus} \\ --file ${prefix}.${suffix} \\ - $marker_file \\ - $analysis_dir \\ - $coverage \\ - $exclude \\ - $args + ${marker_file} \\ + ${analysis_dir} \\ + ${coverage} \\ + ${exclude} \\ + ${args} + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) + END_VERSIONS + """ + + stub: + prefix = task.ext.prefix ?: "${meta.id}" + """ + touch ${prefix}.txt ${prefix}.fasta cat <<-END_VERSIONS > versions.yml "${task.process}": diff --git a/modules/nf-core/checkm/qa/meta.yml b/modules/nf-core/checkm/qa/meta.yml index d0af39af..cd41eaec 100644 --- a/modules/nf-core/checkm/qa/meta.yml +++ b/modules/nf-core/checkm/qa/meta.yml @@ -1,5 +1,6 @@ name: checkm_qa -description: CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes. +description: CheckM provides a set of tools for assessing the quality of genomes recovered + from isolates, single cells, or metagenomes. keywords: - checkm - mag @@ -16,52 +17,64 @@ keywords: - quality assurnce tools: - checkm: - description: Assess the quality of microbial genomes recovered from isolates, single cells, and metagenomes. + description: Assess the quality of microbial genomes recovered from isolates, + single cells, and metagenomes. homepage: https://ecogenomics.github.io/CheckM/ documentation: https://github.com/Ecogenomics/CheckM/wiki tool_dev_url: https://github.com/Ecogenomics/CheckM doi: "10.1101/gr.186072.114" licence: ["GPL v3"] - + identifier: biotools:checkm input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - analysis_dir: - type: file - description: Directory containing output of checkm/analyze or checkm/lineage_wf etc. - pattern: "*" - - marker_file: - type: file - description: Marker file specified during checkm/analyze or produced by checkm/{lineage,taxonomy}_wf - pattern: "*.ms" - - coverage_file: - type: file - description: File containing coverage of each sequence (generated by checkm coverage) - - exclude_marker_file: - type: file - description: File specifying markers to exclude from marker sets - + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - analysis_dir: + type: file + description: Directory containing output of checkm/analyze or checkm/lineage_wf + etc. + pattern: "*" + - marker_file: + type: file + description: Marker file specified during checkm/analyze or produced by checkm/{lineage,taxonomy}_wf + pattern: "*.ms" + - coverage_file: + type: file + description: File containing coverage of each sequence (generated by checkm + coverage) + - - exclude_marker_file: + type: file + description: File specifying markers to exclude from marker sets output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - output: - type: file - description: "Default completeness statistics in various formats, as specified with --out_format (excluding option: 9)" - pattern: "*.txt" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - ${prefix}.txt: + type: file + description: "Default completeness statistics in various formats, as specified + with --out_format (excluding option: 9)" + pattern: "*.txt" - fasta: - type: file - description: Output in fasta format (only if --out_format 9) - pattern: "*.fasta" - + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - ${prefix}.fasta: + type: file + description: Output in fasta format (only if --out_format 9) + pattern: "*.fasta" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@jfy133" +maintainers: + - "@jfy133" diff --git a/modules/nf-core/checkm/qa/tests/main.nf.test b/modules/nf-core/checkm/qa/tests/main.nf.test new file mode 100644 index 00000000..8037bbc2 --- /dev/null +++ b/modules/nf-core/checkm/qa/tests/main.nf.test @@ -0,0 +1,88 @@ +nextflow_process { + name "Test Process CHECKM_QA" + script "../main.nf" + process "CHECKM_QA" + + tag "modules" + tag "modules_nfcore" + tag "checkm" + tag "checkm/qa" + tag "checkm/lineagewf" + + test("checkm - qa") { + + setup { + run("CHECKM_LINEAGEWF") { + script "../../lineagewf/main.nf" + process { + """ + input[0] = [ + [ id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', checkIfExists: true) + ] + input[1] = 'fasta' + input[2] = [] // Download CheckM database + """ + } + } + } + + when { + process { + """ + input[0] = CHECKM_LINEAGEWF.out.checkm_output.join(CHECKM_LINEAGEWF.out.marker_file) + .map { v -> v + [file('NO_FILE')] } + input[1] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + + } + + test("stub") { + + options "-stub" + + setup { + run("CHECKM_LINEAGEWF") { + script "../../lineagewf/main.nf" + process { + """ + input[0] = [ + [ id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', checkIfExists: true) + ] + input[1] = 'fasta' + input[2] = [] // Download CheckM database + """ + } + } + } + + when { + process { + """ + input[0] = CHECKM_LINEAGEWF.out.checkm_output.join(CHECKM_LINEAGEWF.out.marker_file) + .map { v -> v + [file('NO_FILE')] } + input[1] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + + } + +} \ No newline at end of file diff --git a/modules/nf-core/checkm/qa/tests/main.nf.test.snap b/modules/nf-core/checkm/qa/tests/main.nf.test.snap new file mode 100644 index 00000000..77eca77b --- /dev/null +++ b/modules/nf-core/checkm/qa/tests/main.nf.test.snap @@ -0,0 +1,96 @@ +{ + "checkm - qa": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.txt:md5,645f4282569afb4b171396732b2d2582" + ] + ], + "1": [ + + ], + "2": [ + "versions.yml:md5,7a0683a78cbf54a6a69ee64055c584a6" + ], + "fasta": [ + + ], + "output": [ + [ + { + "id": "test", + "single_end": false + }, + "test.txt:md5,645f4282569afb4b171396732b2d2582" + ] + ], + "versions": [ + "versions.yml:md5,7a0683a78cbf54a6a69ee64055c584a6" + ] + } + ], + "meta": { + "nf-test": "0.9.1", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-05T04:44:09.849072843" + }, + "stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.txt:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.fasta:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,7a0683a78cbf54a6a69ee64055c584a6" + ], + "fasta": [ + [ + { + "id": "test", + "single_end": false + }, + "test.fasta:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "output": [ + [ + { + "id": "test", + "single_end": false + }, + "test.txt:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,7a0683a78cbf54a6a69ee64055c584a6" + ] + } + ], + "meta": { + "nf-test": "0.9.1", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-05T04:14:12.680834625" + } +} \ No newline at end of file diff --git a/modules/nf-core/checkm/qa/tests/tags.yml b/modules/nf-core/checkm/qa/tests/tags.yml new file mode 100644 index 00000000..08b4747b --- /dev/null +++ b/modules/nf-core/checkm/qa/tests/tags.yml @@ -0,0 +1,3 @@ +checkm/qa: + - modules/nf-core/checkm/lineagewf/** + - modules/nf-core/checkm/qa/** diff --git a/modules/nf-core/gunc/mergecheckm/environment.yml b/modules/nf-core/gunc/mergecheckm/environment.yml new file mode 100644 index 00000000..3a0264f4 --- /dev/null +++ b/modules/nf-core/gunc/mergecheckm/environment.yml @@ -0,0 +1,6 @@ +channels: + - conda-forge + - bioconda + +dependencies: + - bioconda::gunc=1.0.6 diff --git a/modules/nf-core/gunc/mergecheckm/main.nf b/modules/nf-core/gunc/mergecheckm/main.nf index b6399f22..611f916c 100644 --- a/modules/nf-core/gunc/mergecheckm/main.nf +++ b/modules/nf-core/gunc/mergecheckm/main.nf @@ -2,10 +2,10 @@ process GUNC_MERGECHECKM { tag "$meta.id" label 'process_single' - conda "bioconda::gunc=1.0.5" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/gunc:1.0.5--pyhdfd78af_0' : - 'biocontainers/gunc:1.0.5--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/gunc:1.0.6--pyhdfd78af_0' : + 'biocontainers/gunc:1.0.6--pyhdfd78af_0' }" input: tuple val(meta), path(gunc_file), path(checkm_file) @@ -33,4 +33,14 @@ process GUNC_MERGECHECKM { gunc: \$( gunc --version ) END_VERSIONS """ + + stub: + """ + touch gunc_merge_checkm.tsv + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + gunc: \$( gunc --version ) + END_VERSIONS + """ } diff --git a/modules/nf-core/gunc/mergecheckm/meta.yml b/modules/nf-core/gunc/mergecheckm/meta.yml index a88298f7..4a7a2c1c 100644 --- a/modules/nf-core/gunc/mergecheckm/meta.yml +++ b/modules/nf-core/gunc/mergecheckm/meta.yml @@ -11,42 +11,45 @@ keywords: - chimeras tools: - gunc: - description: Python package for detection of chimerism and contamination in prokaryotic genomes. + description: Python package for detection of chimerism and contamination in prokaryotic + genomes. homepage: https://grp-bork.embl-community.io/gunc/ documentation: https://grp-bork.embl-community.io/gunc/ tool_dev_url: https://github.com/grp-bork/gunc doi: "10.1186/s13059-021-02393-0" licence: ["GNU General Public v3 or later (GPL v3+)"] - + identifier: biotools:gunc input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - gunc_file: - type: file - description: Path of a gunc_scores.tsv file (mandatory) - pattern: "*.{bam,cram,sam}" - - checkm_file: - type: file - description: Output TSV from CheckM qa (ideally with -o 2 extended format) (mandatory) - pattern: "*.{bam,cram,sam}" - + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - gunc_file: + type: file + description: Path of a gunc_scores.tsv file (mandatory) + pattern: "*.{bam,cram,sam}" + - checkm_file: + type: file + description: Output TSV from CheckM qa (ideally with -o 2 extended format) (mandatory) + pattern: "*.{bam,cram,sam}" output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - tsv: - type: file - description: Merged checkm/gunc results in TSV format - pattern: "*.tsv" - + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.tsv": + type: file + description: Merged checkm/gunc results in TSV format + pattern: "*.tsv" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@jfy133" +maintainers: + - "@jfy133" diff --git a/modules/nf-core/gunc/mergecheckm/tests/main.nf.test b/modules/nf-core/gunc/mergecheckm/tests/main.nf.test new file mode 100644 index 00000000..dbd67b90 --- /dev/null +++ b/modules/nf-core/gunc/mergecheckm/tests/main.nf.test @@ -0,0 +1,175 @@ +nextflow_process { + + name "Test Process GUNC_MERGECHECKM" + script "../main.nf" + process "GUNC_MERGECHECKM" + config "./nextflow.config" + + tag "modules_nfcore" + tag "modules" + tag "gunc" + tag "gunc/mergecheckm" + tag "gunc/run" + tag "gunc/downloaddb" + tag "checkm/lineagewf" + tag "checkm/qa" + + // commented out because GitHub runners are not able to run this test + // test("gunc - mergecheckm") { + + // setup { + // run("CHECKM_LINEAGEWF") { + // script "../../../checkm/lineagewf/main.nf" + // process { + // """ + // input[0] = [ + // [id: 'test'], // meta map + // file( + // params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', + // checkIfExists: true + // ) + // ] + // input[1] = 'fasta' + // input[2] = [] // Download CheckM database + // """ + // } + // } + + // run("CHECKM_QA") { + // script "../../../checkm/qa/main.nf" + // process { + // """ + // input[0] = CHECKM_LINEAGEWF.out.checkm_output + // .join(CHECKM_LINEAGEWF.out.marker_file) + // .map { sample_data -> sample_data + [file('NO_FILE')] } + // input[1] = [] + // """ + // } + // } + + // run("GUNC_DOWNLOADDB") { + // script "../../downloaddb/main.nf" + // process { + // """ + // input[0] = 'progenomes' + // """ + // } + // } + + // run("GUNC_RUN") { + // script "../../run/main.nf" + // process { + // """ + // input[0] = [ + // [id: 'test'], + // [file( + // params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', + // checkIfExists: true + // )] + // ] + // input[1] = GUNC_DOWNLOADDB.out.db + // """ + // } + // } + // } + + // when { + // params { + // outdir = "${launchDir}/tests/results" + // } + // process { + // """ + // input[0] = GUNC_RUN.out.maxcss_level_tsv.join(CHECKM_QA.out.output) + // """ + // } + // } + + // then { + // assertAll( + // { assert process.success }, + // { assert snapshot(process.out).match() } + // ) + // } + + // } + + test("gunc - mergecheckm - stub") { + + options "-stub" + + setup { + run("CHECKM_LINEAGEWF") { + script "../../../checkm/lineagewf/main.nf" + process { + """ + input[0] = [ + [id: 'test'], // meta map + file( + params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', + checkIfExists: true + ) + ] + input[1] = 'fasta' + input[2] = [] // Download CheckM database + """ + } + } + + run("CHECKM_QA") { + script "../../../checkm/qa/main.nf" + process { + """ + input[0] = CHECKM_LINEAGEWF.out.checkm_output + .join(CHECKM_LINEAGEWF.out.marker_file) + .map { v -> v + [file('NO_FILE')] } + input[1] = [] + """ + } + } + + run("GUNC_DOWNLOADDB") { + script "../../downloaddb/main.nf" + process { + """ + input[0] = 'progenomes' + """ + } + } + + run("GUNC_RUN") { + script "../../run/main.nf" + process { + """ + input[0] = [ + [id: 'test'], + [file( + params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', + checkIfExists: true + )] + ] + input[1] = GUNC_DOWNLOADDB.out.db + """ + } + } + } + + when { + params { + outdir = "${launchDir}/tests/results" + } + process { + """ + input[0] = GUNC_RUN.out.maxcss_level_tsv.join(CHECKM_QA.out.output) + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + + } +} \ No newline at end of file diff --git a/modules/nf-core/gunc/mergecheckm/tests/main.nf.test.snap b/modules/nf-core/gunc/mergecheckm/tests/main.nf.test.snap new file mode 100644 index 00000000..807c23f2 --- /dev/null +++ b/modules/nf-core/gunc/mergecheckm/tests/main.nf.test.snap @@ -0,0 +1,68 @@ +{ + "gunc - mergecheckm": { + "content": [ + { + "0": [ + [ + { + "id": "test" + }, + "GUNC_checkM.merged.tsv:md5,24cbd3c76a36cb90ac993c83525a2c1b" + ] + ], + "1": [ + "versions.yml:md5,a94747201129170b1cfbce5e59de62b0" + ], + "tsv": [ + [ + { + "id": "test" + }, + "GUNC_checkM.merged.tsv:md5,24cbd3c76a36cb90ac993c83525a2c1b" + ] + ], + "versions": [ + "versions.yml:md5,a94747201129170b1cfbce5e59de62b0" + ] + } + ], + "meta": { + "nf-test": "0.9.2", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-22T09:37:48.146410153" + }, + "gunc - mergecheckm - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test" + }, + "gunc_merge_checkm.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + "versions.yml:md5,a94747201129170b1cfbce5e59de62b0" + ], + "tsv": [ + [ + { + "id": "test" + }, + "gunc_merge_checkm.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,a94747201129170b1cfbce5e59de62b0" + ] + } + ], + "meta": { + "nf-test": "0.9.2", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-21T16:47:06.752273424" + } +} \ No newline at end of file diff --git a/modules/nf-core/gunc/mergecheckm/tests/nextflow.config b/modules/nf-core/gunc/mergecheckm/tests/nextflow.config new file mode 100644 index 00000000..1e9ba3dc --- /dev/null +++ b/modules/nf-core/gunc/mergecheckm/tests/nextflow.config @@ -0,0 +1,5 @@ +process { + withName: CHECKM_QA { + ext.args = '--tab_table' + } +} diff --git a/modules/nf-core/gunc/mergecheckm/tests/tags.yml b/modules/nf-core/gunc/mergecheckm/tests/tags.yml new file mode 100644 index 00000000..d05282f2 --- /dev/null +++ b/modules/nf-core/gunc/mergecheckm/tests/tags.yml @@ -0,0 +1,6 @@ +gunc/run: + - modules/nf-core/gunc/mergecheckm/** + - modules/nf-core/gunc/run/** + - modules/nf-core/gunc/downloaddb/** + - modules/nf-core/checkm/lineagewf/** + - modules/nf-core/checkm/qa/** diff --git a/modules/nf-core/gunc/run/environment.yml b/modules/nf-core/gunc/run/environment.yml new file mode 100644 index 00000000..3a0264f4 --- /dev/null +++ b/modules/nf-core/gunc/run/environment.yml @@ -0,0 +1,6 @@ +channels: + - conda-forge + - bioconda + +dependencies: + - bioconda::gunc=1.0.6 diff --git a/modules/nf-core/gunc/run/main.nf b/modules/nf-core/gunc/run/main.nf index 2f1167fa..9ee614e4 100644 --- a/modules/nf-core/gunc/run/main.nf +++ b/modules/nf-core/gunc/run/main.nf @@ -2,13 +2,13 @@ process GUNC_RUN { tag "$meta.id" label 'process_medium' - conda "bioconda::gunc=1.0.5" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/gunc:1.0.5--pyhdfd78af_0' : - 'biocontainers/gunc:1.0.5--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/gunc:1.0.6--pyhdfd78af_0' : + 'biocontainers/gunc:1.0.6--pyhdfd78af_0' }" input: - tuple val(meta), path(fasta) + tuple val(meta), path(fasta_files, stageAs: 'input_files/*') path(db) output: @@ -23,9 +23,10 @@ process GUNC_RUN { def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" """ + ls input_files/* > input_files.txt gunc \\ run \\ - --input_fasta $fasta \\ + --input_file input_files.txt \\ --db_file $db \\ --threads $task.cpus \\ $args @@ -35,4 +36,14 @@ process GUNC_RUN { gunc: \$( gunc --version ) END_VERSIONS """ + + stub: + """ + touch maxCSS_level.tsv all_levels.tsv + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + gunc: \$( gunc --version ) + END_VERSIONS + """ } diff --git a/modules/nf-core/gunc/run/meta.yml b/modules/nf-core/gunc/run/meta.yml index 3a85e1fb..3ecc0b74 100644 --- a/modules/nf-core/gunc/run/meta.yml +++ b/modules/nf-core/gunc/run/meta.yml @@ -8,46 +8,55 @@ keywords: - chimeras tools: - gunc: - description: Python package for detection of chimerism and contamination in prokaryotic genomes. + description: Python package for detection of chimerism and contamination in prokaryotic + genomes. homepage: https://grp-bork.embl-community.io/gunc/ documentation: https://grp-bork.embl-community.io/gunc/ tool_dev_url: https://github.com/grp-bork/gunc doi: "10.1186/s13059-021-02393-0" licence: ["GNU General Public v3 or later (GPL v3+)"] - + identifier: biotools:gunc input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - fasta: - type: file - description: FASTA file containing contig (bins) - pattern: "*.fa" - - db: - type: file - description: GUNC database file - pattern: "*.dmnd" - + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - fasta_files: + type: file + description: A list of FASTA files containing contig (bins) + pattern: "*.fa" + - - db: + type: file + description: GUNC database file + pattern: "*.dmnd" output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - - maxcss_levels_tsv: - type: file - description: Output file with scores for a taxonomic level with the highest CSS score - pattern: "*.tsv" + - maxcss_level_tsv: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*maxCSS_level.tsv": + type: file + description: Output file with results for the maximum CSS level + pattern: "*.tsv" - all_levels_tsv: - type: file - description: Optional output file with results for each taxonomic level - pattern: "*.tsv" - + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*all_levels.tsv": + type: file + description: Optional output file with results for each taxonomic level + pattern: "*.tsv" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@jfy133" +maintainers: + - "@jfy133" diff --git a/modules/nf-core/gunc/run/tests/main.nf.test b/modules/nf-core/gunc/run/tests/main.nf.test new file mode 100644 index 00000000..c1659f0c --- /dev/null +++ b/modules/nf-core/gunc/run/tests/main.nf.test @@ -0,0 +1,96 @@ +nextflow_process { + + name "Test Process GUNC_RUN" + script "../main.nf" + process "GUNC_RUN" + + tag "modules_nfcore" + tag "modules" + tag "gunc" + tag "gunc/run" + tag "gunc/downloaddb" + + // commented out because GitHub runners are not able to run this test + // test("gunc - run") { + + // setup { + // run("GUNC_DOWNLOADDB") { + // script "../../downloaddb/main.nf" + // process { + // """ + // input[0] = 'progenomes' + // """ + // } + // } + // } + + // when { + // params { + // outdir = "${launchDir}/tests/results" + // } + // process { + // """ + // input[0] = [ + // [id: 'test'], + // [file( + // params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', + // checkIfExists: true + // )] + // ] + // input[1] = GUNC_DOWNLOADDB.out.db + // """ + // } + // } + + // then { + // assertAll( + // { assert process.success }, + // { assert snapshot(process.out).match() } + // ) + // } + + // } + + test("gunc - run - stub") { + + options "-stub" + + setup { + run("GUNC_DOWNLOADDB") { + script "../../downloaddb/main.nf" + process { + """ + input[0] = 'progenomes' + """ + } + } + } + + when { + params { + outdir = "${launchDir}/tests/results" + } + process { + """ + input[0] = [ + [id: 'test'], + [file( + params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fasta/contigs.fasta', + checkIfExists: true + )] + ] + input[1] = GUNC_DOWNLOADDB.out.db + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + + } + +} \ No newline at end of file diff --git a/modules/nf-core/gunc/run/tests/main.nf.test.snap b/modules/nf-core/gunc/run/tests/main.nf.test.snap new file mode 100644 index 00000000..516425c8 --- /dev/null +++ b/modules/nf-core/gunc/run/tests/main.nf.test.snap @@ -0,0 +1,90 @@ +{ + "gunc - run - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test" + }, + "maxCSS_level.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test" + }, + "all_levels.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,2ee4942c0187a663aed4b66af3bead6a" + ], + "all_levels_tsv": [ + [ + { + "id": "test" + }, + "all_levels.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "maxcss_level_tsv": [ + [ + { + "id": "test" + }, + "maxCSS_level.tsv:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,2ee4942c0187a663aed4b66af3bead6a" + ] + } + ], + "meta": { + "nf-test": "0.9.2", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-21T17:29:46.904708749" + }, + "gunc - run": { + "content": [ + { + "0": [ + [ + { + "id": "test" + }, + "GUNC.progenomes_2.1.maxCSS_level.tsv:md5,938826458a44404d0bf2e7cb4edde405" + ] + ], + "1": [ + + ], + "2": [ + "versions.yml:md5,2ee4942c0187a663aed4b66af3bead6a" + ], + "all_levels_tsv": [ + + ], + "maxcss_level_tsv": [ + [ + { + "id": "test" + }, + "GUNC.progenomes_2.1.maxCSS_level.tsv:md5,938826458a44404d0bf2e7cb4edde405" + ] + ], + "versions": [ + "versions.yml:md5,2ee4942c0187a663aed4b66af3bead6a" + ] + } + ], + "meta": { + "nf-test": "0.9.2", + "nextflow": "24.10.0" + }, + "timestamp": "2024-11-22T10:12:03.813571948" + } +} \ No newline at end of file diff --git a/modules/nf-core/gunc/run/tests/tags.yml b/modules/nf-core/gunc/run/tests/tags.yml new file mode 100644 index 00000000..0af96444 --- /dev/null +++ b/modules/nf-core/gunc/run/tests/tags.yml @@ -0,0 +1,3 @@ +gunc/run: + - modules/nf-core/gunc/run/** + - modules/nf-core/gunc/downloaddb/** From ef1828c6924437067026393458c46b5bbfa98c1c Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Tue, 26 Nov 2024 23:43:17 -0300 Subject: [PATCH 52/87] Make binqc_tool an input for BIN_SUMMARY --- modules/local/bin_summary.nf | 42 +++++++++++++++++++----------------- workflows/mag.nf | 3 ++- 2 files changed, 24 insertions(+), 21 deletions(-) diff --git a/modules/local/bin_summary.nf b/modules/local/bin_summary.nf index 9208822a..07784d83 100644 --- a/modules/local/bin_summary.nf +++ b/modules/local/bin_summary.nf @@ -1,34 +1,36 @@ process BIN_SUMMARY { conda "conda-forge::pandas=1.4.3" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/pandas:1.4.3' : - 'biocontainers/pandas:1.4.3' }" + container "${workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container + ? 'https://depot.galaxyproject.org/singularity/pandas:1.4.3' + : 'biocontainers/pandas:1.4.3'}" input: - path(bin_depths) - path(binqc_sum) - path(quast_sum) - path(gtdbtk_sum) - path(cat_sum) + path bin_depths + path binqc_sum + path quast_sum + path gtdbtk_sum + path cat_sum + val binqc_tool output: - path("bin_summary.tsv"), emit: summary - path "versions.yml" , emit: versions + path "bin_summary.tsv", emit: summary + path "versions.yml" , emit: versions script: - def binqc_summary = binqc_sum.sort().size() > 0 ? "--binqc_summary ${binqc_sum}" : "" - def quast_summary = quast_sum.sort().size() > 0 ? "--quast_summary ${quast_sum}" : "" + def binqc_summary = binqc_sum.sort().size() > 0 ? "--binqc_summary ${binqc_sum}" : "" + def quast_summary = quast_sum.sort().size() > 0 ? "--quast_summary ${quast_sum}" : "" def gtdbtk_summary = gtdbtk_sum.sort().size() > 0 ? "--gtdbtk_summary ${gtdbtk_sum}" : "" - def cat_summary = cat_sum.sort().size() > 0 ? "--cat_summary ${cat_sum}" : "" + def cat_summary = cat_sum.sort().size() > 0 ? "--cat_summary ${cat_sum}" : "" """ - combine_tables.py --depths_summary ${bin_depths} \ - $binqc_summary \ - $quast_summary \ - $gtdbtk_summary \ - $cat_summary \ - --binqc_tool ${params.binqc_tool} \ - --out bin_summary.tsv + combine_tables.py \ + --depths_summary ${bin_depths} \ + ${binqc_summary} \ + ${quast_summary} \ + ${gtdbtk_summary} \ + ${cat_summary} \ + --binqc_tool ${binqc_tool} \ + --out bin_summary.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": diff --git a/workflows/mag.nf b/workflows/mag.nf index 8b343c8c..d000db0f 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -890,7 +890,8 @@ workflow MAG { ch_bin_qc_summary.ifEmpty([]), ch_quast_bins_summary.ifEmpty([]), ch_gtdbtk_summary.ifEmpty([]), - ch_cat_global_summary.ifEmpty([]) + ch_cat_global_summary.ifEmpty([]), + params.binqc_tool ) } From bcae7f9952cd80b66c86c0542a478c41d0d52c44 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 27 Nov 2024 00:01:12 -0300 Subject: [PATCH 53/87] Move bin qc database setup to the subworkflow --- subworkflows/local/bin_qc.nf | 57 ++++++++++++++++++++++++++++++++---- workflows/mag.nf | 50 +------------------------------ 2 files changed, 53 insertions(+), 54 deletions(-) diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index 1211c36c..15ead257 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -2,6 +2,8 @@ * BUSCO/CheckM/CheckM2/GUNC: Quantitative measures for the assessment of genome assembly */ +include { ARIA2 as ARIA2_UNTAR } from '../../modules/nf-core/aria2/main' +include { CHECKM2_DATABASEDOWNLOAD } from '../../modules/nf-core/checkm2/databasedownload/main' include { BUSCO_DB_PREPARATION } from '../../modules/local/busco_db_preparation' include { BUSCO } from '../../modules/local/busco' include { BUSCO_SAVE_DOWNLOAD } from '../../modules/local/busco_save_download' @@ -17,11 +19,7 @@ include { GUNC_MERGECHECKM } from '../../modules/nf-core/gunc/me workflow BIN_QC { take: - ch_bins // [ [ meta] , fasta ], input bins (mandatory) - ch_checkm_db // [ db ], presupplied CheckM database (optional) - ch_checkm2_db // [ [meta] , db ], presupplied CheckM2 database (optional) - ch_busco_db // [ [meta] , db ], presupplied BUSCO database (optional) - ch_gunc_db // [ db ], presupplied GUNC database (optional) + ch_bins // [ [ meta] , fasta ], input bins (mandatory) main: qc_summary = [] @@ -30,6 +28,55 @@ workflow BIN_QC { ch_multiqc_files = Channel.empty() + /* + ================================ + * Setup databases + ================================ + */ + + if (params.busco_db) { + ch_busco_db = file(params.busco_db, checkIfExists: true) + } + else { + ch_busco_db = [] + } + + if (params.checkm_db) { + ch_checkm_db = file(params.checkm_db, checkIfExists: true) + } + else if (!params.skip_binqc && params.binqc_tool == 'checkm') { + ARIA2_UNTAR(params.checkm_download_url) + ch_checkm_db = ARIA2_UNTAR.out.downloaded_file + } + else { + ch_checkm_db = [] + } + + if (params.checkm2_db) { + ch_checkm2_db = [[:], file(params.checkm2_db, checkIfExists: true)] + } + else if (!params.skip_binqc && params.binqc_tool == 'checkm2') { + CHECKM2_DATABASEDOWNLOAD(params.checkm2_db_version) + ch_checkm2_db = CHECKM2_DATABASEDOWNLOAD.out.database + } + else { + ch_checkm2_db = [] + } + + if (params.gunc_db) { + ch_gunc_db = file(params.gunc_db, checkIfExists: true) + } + else { + ch_gunc_db = Channel.empty() + } + + + /* + ================================ + * Run QC tools + ================================ + */ + if (params.binqc_tool == "busco") { /* * BUSCO diff --git a/workflows/mag.nf b/workflows/mag.nf index d000db0f..049cf26f 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -26,7 +26,6 @@ include { LONGREAD_PREPROCESSING } from '../subwo // // MODULE: Installed directly from nf-core/modules // -include { ARIA2 as ARIA2_UNTAR } from '../modules/nf-core/aria2/main' include { FASTQC as FASTQC_RAW } from '../modules/nf-core/fastqc/main' include { FASTQC as FASTQC_TRIMMED } from '../modules/nf-core/fastqc/main' include { SEQTK_MERGEPE } from '../modules/nf-core/seqtk/mergepe/main' @@ -50,7 +49,6 @@ include { PRODIGAL } from '../modul include { PROKKA } from '../modules/nf-core/prokka/main' include { MMSEQS_DATABASES } from '../modules/nf-core/mmseqs/databases/main' include { METAEUK_EASYPREDICT } from '../modules/nf-core/metaeuk/easypredict/main' -include { CHECKM2_DATABASEDOWNLOAD } from '../modules/nf-core/checkm2/databasedownload/main' // // MODULE: Local to the pipeline @@ -102,34 +100,6 @@ workflow MAG { ch_host_fasta = Channel.empty() } - if (params.busco_db) { - ch_busco_db = file(params.busco_db, checkIfExists: true) - } - else { - ch_busco_db = [] - } - - if (params.checkm_db) { - ch_checkm_db = file(params.checkm_db, checkIfExists: true) - } - else { - ch_checkm_db = [] - } - - if (params.checkm2_db) { - ch_checkm2_db = [[:], file(params.checkm2_db, checkIfExists: true)] - } - else { - ch_checkm2_db = [] - } - - if (params.gunc_db) { - ch_gunc_db = file(params.gunc_db, checkIfExists: true) - } - else { - ch_gunc_db = Channel.empty() - } - if (params.kraken2_db) { ch_kraken2_db_file = file(params.kraken2_db, checkIfExists: true) } @@ -185,18 +155,6 @@ workflow MAG { ch_metaeuk_db = Channel.empty() } - // Get checkM database if not supplied - if (!params.skip_binqc && params.binqc_tool == 'checkm' && !params.checkm_db) { - ARIA2_UNTAR(params.checkm_download_url) - ch_checkm_db = ARIA2_UNTAR.out.downloaded_file - } - - // Get CheckM2 database if not supplied - if (!params.skip_binqc && params.binqc_tool == 'checkm2' && !params.checkm2_db) { - CHECKM2_DATABASEDOWNLOAD(params.checkm2_db_version) - ch_checkm2_db = CHECKM2_DATABASEDOWNLOAD.out.database - } - // Get mmseqs db for MetaEuk if requested if (!params.skip_metaeuk && params.metaeuk_mmseqs_db) { MMSEQS_DATABASES(params.metaeuk_mmseqs_db) @@ -793,13 +751,7 @@ workflow MAG { * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM, CHECKM2, and/or GUNC */ - BIN_QC( - ch_input_for_postbinning, - ch_checkm_db, - ch_checkm2_db, - ch_busco_db, - ch_gunc_db - ) + BIN_QC(ch_input_for_postbinning) ch_bin_qc_summary = BIN_QC.out.qc_summary ch_versions = ch_versions.mix(BIN_QC.out.versions) From 158ee12d01607851f3766e156491f5c91fcb22e9 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 27 Nov 2024 00:06:10 -0300 Subject: [PATCH 54/87] Fix --- modules/nf-core/checkm2/databasedownload/meta.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/modules/nf-core/checkm2/databasedownload/meta.yml b/modules/nf-core/checkm2/databasedownload/meta.yml index b79ccfc6..632b4922 100644 --- a/modules/nf-core/checkm2/databasedownload/meta.yml +++ b/modules/nf-core/checkm2/databasedownload/meta.yml @@ -20,7 +20,7 @@ tools: input: - - db_zenodo_id: type: integer - description: Zenodo record ID of the CheckM2 database to download + description: Zenodo ID of the CheckM2 database to download output: - database: From 5738215ece2efa872efb16c8b430e50290adb5db Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 27 Nov 2024 00:19:30 -0300 Subject: [PATCH 55/87] Remove another it --- subworkflows/local/bin_qc.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index 15ead257..887990ed 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -126,7 +126,7 @@ workflow BIN_QC { ) ch_multiqc_files = ch_multiqc_files.mix( - BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map { it[1] } + BUSCO.out.summary_domain.mix(BUSCO.out.summary_specific).map { _meta, summary -> summary } ) qc_summary = BUSCO_SUMMARY.out.summary ch_versions = ch_versions.mix(BUSCO.out.versions.first()) From 49ebb712d80e9808afa00b454912af6a93c24293 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 27 Nov 2024 00:30:31 -0300 Subject: [PATCH 56/87] Remove checkm/checkm2 ci tests --- .github/workflows/ci.yml | 70 ---------------------------------------- 1 file changed, 70 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index ccc072c0..4d71c8f8 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -130,73 +130,3 @@ jobs: - name: Run pipeline with ${{ matrix.test_name }} test profile run: | nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.test_name }},docker --outdir ./results - - checkm: - name: Run single test to checkm due to database download - # Only run on push if this is the nf-core dev branch (merged PRs) - if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/mag') }} - runs-on: ubuntu-latest - - steps: - - name: Free some space - run: | - sudo rm -rf "/usr/local/share/boost" - sudo rm -rf "$AGENT_TOOLSDIRECTORY" - - - name: Check out pipeline code - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 - - - name: Install Nextflow - run: | - wget -qO- get.nextflow.io | bash - sudo mv nextflow /usr/local/bin/ - - - name: Clean up Disk space - uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - - name: Download and prepare CheckM database - run: | - mkdir -p databases/checkm - wget https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz -P databases/checkm - tar xzvf databases/checkm/checkm_data_2015_01_16.tar.gz -C databases/checkm/ - - - name: Run pipeline with ${{ matrix.profile }} test profile - run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results --binqc_tool checkm --checkm_db databases/checkm - - checkm2: - name: Run single test to checkm2 due to database download - # Only run on push if this is the nf-core dev branch (merged PRs) - if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/mag') }} - runs-on: ubuntu-latest - - steps: - - name: Free some space - run: | - sudo rm -rf "/usr/local/share/boost" - sudo rm -rf "$AGENT_TOOLSDIRECTORY" - - - name: Check out pipeline code - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 - - - name: Install Nextflow - run: | - wget -qO- get.nextflow.io | bash - sudo mv nextflow /usr/local/bin/ - - - name: Clean up Disk space - uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - - name: Download and prepare CheckM2 database - run: | - mkdir -p databases/checkm2 - wget https://zenodo.org/records/5571251/files/checkm2_database.tar.gz -P databases/checkm2 - tar xzvf databases/checkm2/checkm2_database.tar.gz -C databases/checkm2/ - - - name: Run pipeline with ${{ matrix.profile }} test profile - run: | - nextflow run ${GITHUB_WORKSPACE} \ - -profile test,docker \ - --outdir ./results \ - --binqc_tool checkm2 \ - --checkm2_db databases/checkm2/CheckM2_database/uniref100.KO.1.dmnd From 4ecd36f3960e90f91030fcf0f50b3a356471542b Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 28 Nov 2024 11:36:10 -0300 Subject: [PATCH 57/87] gtdbtk: add check when params.busco_db is not defined --- subworkflows/local/gtdbtk.nf | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/subworkflows/local/gtdbtk.nf b/subworkflows/local/gtdbtk.nf index e2ee580b..d3d66d47 100644 --- a/subworkflows/local/gtdbtk.nf +++ b/subworkflows/local/gtdbtk.nf @@ -24,8 +24,7 @@ workflow GTDBTK { def completeness = -1 def contamination = -1 def missing, duplicated - def busco_db = file(params.busco_db) - if (busco_db.getBaseName().contains('odb10')) { + if (params.busco_db && file(params.busco_db).getBaseName().contains('odb10')) { missing = row.'%Missing (specific)' // TODO or just take '%Complete'? duplicated = row.'%Complete and duplicated (specific)' } else { From 1cf1da7c04ef623a6cff29a4f736853910097984 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 28 Nov 2024 14:11:16 -0300 Subject: [PATCH 58/87] Don't flatten bins for GUNC --- subworkflows/local/bin_qc.nf | 3 --- 1 file changed, 3 deletions(-) diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index 887990ed..7348d855 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -181,9 +181,6 @@ workflow BIN_QC { .filter { meta, _bins -> meta.domain != "eukarya" } - .flatMap { meta, bins -> - bins.collect { bin -> [meta, bin] } - } if (params.gunc_db) { ch_db_for_gunc = ch_gunc_db From ea9075f700aecc612fdd2320dd85dfec17fb2440 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 28 Nov 2024 14:27:28 -0300 Subject: [PATCH 59/87] Update changelog --- CHANGELOG.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 4e5bef99..e899940a 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -23,9 +23,11 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 | Tool | Previous version | New version | | ------- | ---------------- | ----------- | +| CheckM | 1.2.1 | 1.2.3 | +| CheckM2 | | 1.0.2 | | chopper | | 0.9.0 | +| GUNC | 1.0.5 | 1.0.6 | | nanoq | | 0.10.0 | -| CheckM2 | | 1.0.2 | ### `Deprecated` From a079596d8632d00f86e2a6f6f89d43363d49b798 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 28 Nov 2024 14:45:28 -0300 Subject: [PATCH 60/87] Emit bash version on busco_save_download --- modules/local/busco_save_download.nf | 9 +++++++-- subworkflows/local/bin_qc.nf | 2 ++ 2 files changed, 9 insertions(+), 2 deletions(-) diff --git a/modules/local/busco_save_download.nf b/modules/local/busco_save_download.nf index 74bcffbf..0962d38f 100644 --- a/modules/local/busco_save_download.nf +++ b/modules/local/busco_save_download.nf @@ -2,7 +2,7 @@ process BUSCO_SAVE_DOWNLOAD { // execute sequentially to avoid artefacts when saving files for multiple busco instances maxForks 1 - conda "conda-forge::sed=4.7" + conda "conda-forge::bash=5.2.21" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' : 'nf-core/ubuntu:20.04' }" @@ -11,9 +11,14 @@ process BUSCO_SAVE_DOWNLOAD { path(busco_downloads) output: - path('busco_downloads/**', includeInputs: true) + path('busco_downloads/**', includeInputs: true), emit: busco_files + path "versions.yml" , emit: versions script: """ + cat <<-END_VERSIONS > versions.yml + "${task.process}": + bash: \$(echo \$BASH_VERSION) + END_VERSIONS """ } diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index 7348d855..e78b7b3b 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -115,6 +115,8 @@ workflow BIN_QC { .toSortedList() .flatten() BUSCO_SAVE_DOWNLOAD(ch_downloads) + + ch_versions = ch_versions.mix(BUSCO_SAVE_DOWNLOAD.out.versions.first()) } BUSCO(ch_input_bins_for_qc, ch_db_for_busco) From 80641b05c6526a538f3811213a25a200938ec119 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 28 Nov 2024 15:58:23 -0300 Subject: [PATCH 61/87] Fix declaration --- modules/local/busco_save_download.nf | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/modules/local/busco_save_download.nf b/modules/local/busco_save_download.nf index 0962d38f..099c4150 100644 --- a/modules/local/busco_save_download.nf +++ b/modules/local/busco_save_download.nf @@ -3,16 +3,16 @@ process BUSCO_SAVE_DOWNLOAD { maxForks 1 conda "conda-forge::bash=5.2.21" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' : - 'nf-core/ubuntu:20.04' }" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container + ? 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' + : 'nf-core/ubuntu:20.04' }" input: path(busco_downloads) output: - path('busco_downloads/**', includeInputs: true), emit: busco_files - path "versions.yml" , emit: versions + path 'busco_downloads/**', includeInputs: true, emit: busco_files + path 'versions.yml' , emit: versions script: """ From 2262d6040d6d9ac4d7f54f7b8dbfa2aaaf262ca5 Mon Sep 17 00:00:00 2001 From: Adam Rosenbaum Date: Fri, 29 Nov 2024 07:24:39 +0100 Subject: [PATCH 62/87] Remove unused bowtie2 multiqc channel --- subworkflows/local/shortread_preprocessing.nf | 1 - 1 file changed, 1 deletion(-) diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf index 53f5e7c1..ad33b56f 100644 --- a/subworkflows/local/shortread_preprocessing.nf +++ b/subworkflows/local/shortread_preprocessing.nf @@ -32,7 +32,6 @@ workflow SHORTREAD_PREPROCESSING { ch_versions = ch_versions.mix(FASTQC_RAW.out.versions.first()) ch_multiqc_files = ch_multiqc_files.mix(FASTQC_RAW.out.zip) - ch_bowtie2_removal_host_multiqc = Channel.empty() if (!params.skip_clipping) { if (params.clip_tool == 'fastp') { FASTP( From 4b084b11dc94727dfcda7cf964cd297d28695f2e Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Sun, 1 Dec 2024 12:29:00 -0300 Subject: [PATCH 63/87] Update checkm/qa module --- modules.json | 2 +- modules/nf-core/checkm/qa/main.nf | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/modules.json b/modules.json index 64f8d479..25021c0d 100644 --- a/modules.json +++ b/modules.json @@ -59,7 +59,7 @@ }, "checkm/qa": { "branch": "master", - "git_sha": "3ea318161b8788623cec477bde0f089180b2245b", + "git_sha": "867961a8ef91135475ca48c83743646038be4196", "installed_by": ["modules"] }, "checkm2/databasedownload": { diff --git a/modules/nf-core/checkm/qa/main.nf b/modules/nf-core/checkm/qa/main.nf index 0255d95c..042f8b04 100644 --- a/modules/nf-core/checkm/qa/main.nf +++ b/modules/nf-core/checkm/qa/main.nf @@ -23,7 +23,7 @@ process CHECKM_QA { def args = task.ext.args ?: '' prefix = task.ext.prefix ?: "${meta.id}" suffix = task.ext.args?.matches(".*-o 9.*|.*--out_file 9.*") ? "fasta" : "txt" - def coverage = coverage_file.isFile() ? "--coverage_file ${coverage_file}" : "" + def coverage = coverage_file && coverage_file.isFile() ? "--coverage_file ${coverage_file}" : "" def exclude = exclude_marker_file && exclude_marker_file.isFile() ? "--exclude_markers ${exclude_marker_file}" : "" """ checkm \\ From d176fcee3f4833d5c1b7bd888a3288f79f4afc73 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 5 Dec 2024 10:37:11 -0300 Subject: [PATCH 64/87] Handle skip_binqc properly --- subworkflows/local/bin_qc.nf | 4 ++-- workflows/mag.nf | 8 +++++--- 2 files changed, 7 insertions(+), 5 deletions(-) diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index e78b7b3b..ada34149 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -44,7 +44,7 @@ workflow BIN_QC { if (params.checkm_db) { ch_checkm_db = file(params.checkm_db, checkIfExists: true) } - else if (!params.skip_binqc && params.binqc_tool == 'checkm') { + else if (params.binqc_tool == 'checkm') { ARIA2_UNTAR(params.checkm_download_url) ch_checkm_db = ARIA2_UNTAR.out.downloaded_file } @@ -55,7 +55,7 @@ workflow BIN_QC { if (params.checkm2_db) { ch_checkm2_db = [[:], file(params.checkm2_db, checkIfExists: true)] } - else if (!params.skip_binqc && params.binqc_tool == 'checkm2') { + else if (params.binqc_tool == 'checkm2') { CHECKM2_DATABASEDOWNLOAD(params.checkm2_db_version) ch_checkm2_db = CHECKM2_DATABASEDOWNLOAD.out.database } diff --git a/workflows/mag.nf b/workflows/mag.nf index b269a19f..1ef0e52b 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -615,10 +615,12 @@ workflow MAG { * Bin QC subworkflows: for checking bin completeness with either BUSCO, CHECKM, CHECKM2, and/or GUNC */ - BIN_QC(ch_input_for_postbinning) + if (!params.skip_binqc) { + BIN_QC(ch_input_for_postbinning) - ch_bin_qc_summary = BIN_QC.out.qc_summary - ch_versions = ch_versions.mix(BIN_QC.out.versions) + ch_bin_qc_summary = BIN_QC.out.qc_summary + ch_versions = ch_versions.mix(BIN_QC.out.versions) + } ch_quast_bins_summary = Channel.empty() if (!params.skip_quast) { From 3cfa02056a3825066f1de3b8a051f313888c90ea Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Thu, 5 Dec 2024 11:19:24 -0300 Subject: [PATCH 65/87] Fix quoting and undercore unused variables --- .../local/utils_nfcore_mag_pipeline/main.nf | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index 11f65460..dea62d03 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -26,10 +26,10 @@ workflow PIPELINE_INITIALISATION { take: version // boolean: Display version and exit validate_params // boolean: Boolean whether to validate parameters against the schema at runtime - monochrome_logs // boolean: Do not use coloured log outputs + _monochrome_logs // boolean: Do not use coloured log outputs nextflow_cli_args // array: List of positional nextflow CLI args outdir // string: The output directory where the results will be saved - input // string: Path to input samplesheet + _input // string: Path to input samplesheet main: @@ -77,7 +77,7 @@ workflow PIPELINE_INITIALISATION { } // Prepare FASTQs channel and separate short and long reads and prepare - ch_raw_short_reads = ch_samplesheet.map { meta, sr1, sr2, lr -> + ch_raw_short_reads = ch_samplesheet.map { meta, sr1, sr2, _lr -> meta.run = meta.run == [] ? "0" : meta.run meta.single_end = params.single_end @@ -89,7 +89,7 @@ workflow PIPELINE_INITIALISATION { } } - ch_raw_long_reads = ch_samplesheet.map { meta, sr1, sr2, lr -> + ch_raw_long_reads = ch_samplesheet.map { meta, _sr1, _sr2, lr -> if (lr) { meta.run = meta.run == [] ? "0" : meta.run return [meta, lr] @@ -129,13 +129,13 @@ workflow PIPELINE_INITIALISATION { // Cross validation of input assembly and read IDs: ensure groups are all represented between reads and assemblies if (params.assembly_input) { ch_read_ids = ch_samplesheet - .map { meta, sr1, sr2, lr -> params.coassemble_group ? meta.group : meta.id } + .map { meta, _sr1, _sr2, _lr -> params.coassemble_group ? meta.group : meta.id } .unique() .toList() .sort() ch_assembly_ids = ch_input_assemblies - .map { meta, fasta -> params.coassemble_group ? meta.group : meta.id } + .map { meta, _fasta -> params.coassemble_group ? meta.group : meta.id } .unique() .toList() .sort() @@ -286,14 +286,14 @@ def validateInputParameters(hybrid) { // Check if BUSCO parameters combinations are valid if (params.skip_binqc && params.binqc_tool == 'checkm') { - error('[nf-core/mag] ERROR: Both --skip_binqc and --binqc_tool 'checkm' are specified! Invalid combination, please specify either --skip_binqc or --binqc_tool.') + error("[nf-core/mag] ERROR: Both --skip_binqc and --binqc_tool 'checkm' are specified! Invalid combination, please specify either --skip_binqc or --binqc_tool.") } if (params.skip_binqc) { if (params.busco_db) { - error('[nf-core/mag] ERROR: Both --skip_binqc and --busco_db are specified! Invalid combination, please specify either --skip_binqc or --binqc_tool 'busco' with --busco_db.') + error("[nf-core/mag] ERROR: Both --skip_binqc and --busco_db are specified! Invalid combination, please specify either --skip_binqc or --binqc_tool 'busco' with --busco_db.") } if (params.busco_auto_lineage_prok) { - error('[nf-core/mag] ERROR: Both --skip_binqc and --busco_auto_lineage_prok are specified! Invalid combination, please specify either --skip_binqc or --binqc_tool 'busco' with --busco_auto_lineage_prok.') + error("[nf-core/mag] ERROR: Both --skip_binqc and --busco_auto_lineage_prok are specified! Invalid combination, please specify either --skip_binqc or --binqc_tool 'busco' with --busco_auto_lineage_prok.") } } From 459274da3b7bbcdb73331aedeaa97beef4617b2c Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 9 Dec 2024 01:58:05 -0300 Subject: [PATCH 66/87] Fix parameter usage --- subworkflows/local/utils_nfcore_mag_pipeline/main.nf | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index dea62d03..3e3aa9e9 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -29,7 +29,7 @@ workflow PIPELINE_INITIALISATION { _monochrome_logs // boolean: Do not use coloured log outputs nextflow_cli_args // array: List of positional nextflow CLI args outdir // string: The output directory where the results will be saved - _input // string: Path to input samplesheet + input // string: Path to input samplesheet main: @@ -71,7 +71,7 @@ workflow PIPELINE_INITIALISATION { // Validate FASTQ input ch_samplesheet = Channel - .fromList(samplesheetToList(params.input, "${projectDir}/assets/schema_input.json")) + .fromList(samplesheetToList(input, "${projectDir}/assets/schema_input.json")) .map { validateInputSamplesheet(it[0], it[1], it[2], it[3]) } From c7bec094db32934f1b1748ef14f36d92fadc4cbf Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Mon, 9 Dec 2024 01:58:18 -0300 Subject: [PATCH 67/87] Update README and CHANGELOG --- CHANGELOG.md | 1 + README.md | 1 + 2 files changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 24ab3868..fdae9536 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -15,6 +15,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [#724](https://github.com/nf-core/mag/pull/724) - Fix quoting in `utils_nfcore_mag_pipeline/main.nf` (added by @dialvarezs) - [#716](https://github.com/nf-core/mag/pull/692) - Make short read processing a subworkflow (added by @muabnezor) - [#708](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) diff --git a/README.md b/README.md index d82f04a9..15ddc4ad 100644 --- a/README.md +++ b/README.md @@ -90,6 +90,7 @@ Other code contributors include: - [Phil Palmer](https://github.com/PhilPalmer) - [@willros](https://github.com/willros) - [Adam Rosenbaum](https://github.com/muabnezor) +- [Diego Alvarez](https://github.com/dialvarezs) Long read processing was inspired by [caspargross/HybridAssembly](https://github.com/caspargross/HybridAssembly) written by Caspar Gross [@caspargross](https://github.com/caspargross) From 1ef93a0b4f20cadb09a361975090b39d313ff9e9 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 10 Dec 2024 12:59:09 +0100 Subject: [PATCH 68/87] Fix input to single-end MEGAHIT runs --- CHANGELOG.md | 1 + modules.json | 2 +- modules/nf-core/megahit/main.nf | 2 +- 3 files changed, 3 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 24ab3868..be12ee70 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -17,6 +17,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#716](https://github.com/nf-core/mag/pull/692) - Make short read processing a subworkflow (added by @muabnezor) - [#708](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) +- [#727](https://github.com/nf-core/mag/pull/727) - Fixed misspecified multi-FASTQ input for single-end data in MEGAHIT (reported by John Richards, fix by @jfy133) ### `Dependencies` diff --git a/modules.json b/modules.json index d56420d0..3204d5bf 100644 --- a/modules.json +++ b/modules.json @@ -179,7 +179,7 @@ }, "megahit": { "branch": "master", - "git_sha": "7755db15e36b30da564cd67fffdfe18a255092aa", + "git_sha": "9142b390538283705c084e4d612170972ff60326", "installed_by": ["modules"] }, "metabat2/jgisummarizebamcontigdepths": { diff --git a/modules/nf-core/megahit/main.nf b/modules/nf-core/megahit/main.nf index f6e50f94..db061242 100644 --- a/modules/nf-core/megahit/main.nf +++ b/modules/nf-core/megahit/main.nf @@ -25,7 +25,7 @@ process MEGAHIT { def args = task.ext.args ?: '' def args2 = task.ext.args2 ?: '' def prefix = task.ext.prefix ?: "${meta.id}" - def reads_command = meta.single_end || !reads2 ? "-r ${reads1}" : "-1 ${reads1.join(',')} -2 ${reads2.join(',')}" + def reads_command = meta.single_end || !reads2 ? "-r ${reads1.join(',')}" : "-1 ${reads1.join(',')} -2 ${reads2.join(',')}" """ megahit \\ ${reads_command} \\ From 3020a1c0968e17af956650904ad986a51e999b21 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 10 Dec 2024 13:00:02 +0100 Subject: [PATCH 69/87] Update CHANGELOG.md --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index be12ee70..ad4510bb 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -17,7 +17,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#716](https://github.com/nf-core/mag/pull/692) - Make short read processing a subworkflow (added by @muabnezor) - [#708](https://github.com/nf-core/mag/pull/708) - Fixed channel passed as GUNC input (added by @dialvarezs) -- [#727](https://github.com/nf-core/mag/pull/727) - Fixed misspecified multi-FASTQ input for single-end data in MEGAHIT (reported by John Richards, fix by @jfy133) +- [#729](https://github.com/nf-core/mag/pull/729) - Fixed misspecified multi-FASTQ input for single-end data in MEGAHIT (reported by John Richards, fix by @jfy133) ### `Dependencies` From 3a38a3744c5382e12b36909631b4d27749572e3b Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Wed, 11 Dec 2024 15:57:49 -0300 Subject: [PATCH 70/87] Address review comments --- CITATIONS.md | 2 +- docs/output.md | 2 +- nextflow_schema.json | 4 ++-- subworkflows/local/bin_qc.nf | 10 ++++++++-- 4 files changed, 12 insertions(+), 6 deletions(-) diff --git a/CITATIONS.md b/CITATIONS.md index 1d7dd986..2feb3693 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -42,7 +42,7 @@ - [CheckM2](https://doi.org/10.1038/s41592-023-01940-w) - > Chklovski, A., Parks, D. H., Woodcroft, B. J., & Tyson, G. W. (2023). CheckM2: a rapid, scalable and accurate tool for assessing microbial genome quality using machine learning. Nature Methods, 20(8), 1203-1212. + > Chklovski, A., Parks, D. H., Woodcroft, B. J., & Tyson, G. W. (2023). CheckM2: a rapid, scalable and accurate tool for assessing microbial genome quality using machine learning. Nature Methods, 20(8), 1203-1212. doi: https://doi.org/10.1038/s41592-023-01940-w - [Chopper](https://doi.org/10.1093/bioinformatics/bty149) diff --git a/docs/output.md b/docs/output.md index b4d487e4..c50100e8 100644 --- a/docs/output.md +++ b/docs/output.md @@ -596,7 +596,7 @@ If the parameter `--save_checkm_reference` is set, additionally the used the Che
-If the parameter `--save_checkm2_reference` is set, the CheckM2 reference datasets will be stored in the output directory. +If the parameter `--save_checkm2_data` is set, the CheckM2 reference datasets will be stored in the output directory.
Output files diff --git a/nextflow_schema.json b/nextflow_schema.json index 0616173d..dedb286b 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -778,12 +778,12 @@ "checkm2_db": { "type": "string", "description": "Path to local folder containing already downloaded and uncompressed CheckM2 database (.dmnd file).", - "help_text": "The pipeline can also download this for you if not specified, and you can save the resulting directory into your output directory by specifying `--save_checkm2_data`. You should move this directory to somewhere else on your machine (and supply back to the pipeline in future runs again with `--checkm2_db`." + "help_text": "The pipeline can also download this for you if not specified, and you can save the resulting directory into your output directory by specifying `--save_checkm2_data`. You should move this directory to somewhere else on your machine (and supply back to the pipeline in future runs again with `--checkm2_db`)." }, "checkm2_db_version": { "type": "integer", "default": 5571251, - "description": "CheckM2 database version number to download (Zenodo record ID, for reference check https://zenodo.org/records/5571251)." + "description": "CheckM2 database version number to download (Zenodo record ID, for reference check the canonical reference https://zenodo.org/records/5571251, and pick the Zenodo ID of the database version of your choice)." }, "save_checkm2_data": { "type": "boolean", diff --git a/subworkflows/local/bin_qc.nf b/subworkflows/local/bin_qc.nf index ada34149..5a83d140 100644 --- a/subworkflows/local/bin_qc.nf +++ b/subworkflows/local/bin_qc.nf @@ -161,7 +161,10 @@ workflow BIN_QC { COMBINE_BINQC_TSV(CHECKM_QA.out.output.collect { summary -> summary[1] }) qc_summary = COMBINE_BINQC_TSV.out.combined - ch_versions = ch_versions.mix(CHECKM_QA.out.versions.first()) + ch_versions = ch_versions.mix( + CHECKM_QA.out.versions.first(), + COMBINE_BINQC_TSV.out.versions + ) } else if (params.binqc_tool == "checkm2") { /* @@ -172,7 +175,10 @@ workflow BIN_QC { COMBINE_BINQC_TSV(CHECKM2_PREDICT.out.checkm2_tsv.collect { summary -> summary[1] }) qc_summary = COMBINE_BINQC_TSV.out.combined - ch_versions = ch_versions.mix(CHECKM2_PREDICT.out.versions.first()) + ch_versions = ch_versions.mix( + CHECKM2_PREDICT.out.versions.first(), + COMBINE_BINQC_TSV.out.versions + ) } if (params.run_gunc) { From a7fff0150fa3247dc93635a196463c51bff41a8b Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Thu, 12 Dec 2024 11:23:02 +0000 Subject: [PATCH 71/87] Template update for nf-core/tools version 3.1.0 --- .github/CONTRIBUTING.md | 12 +- .github/workflows/awsfulltest.yml | 21 +- .github/workflows/branch.yml | 18 +- .github/workflows/ci.yml | 2 +- .github/workflows/download_pipeline.yml | 8 +- .github/workflows/fix-linting.yml | 4 +- .github/workflows/linting.yml | 10 +- .github/workflows/linting_comment.yml | 2 +- .github/workflows/release-announcements.yml | 2 +- .../workflows/template_version_comment.yml | 2 +- .gitpod.yml | 11 +- .nf-core.yml | 8 +- .vscode/settings.json | 3 + CHANGELOG.md | 2 +- conf/base.config | 2 +- conf/modules.config | 1 + docs/usage.md | 32 +- modules.json | 8 +- modules/nf-core/fastqc/main.nf | 2 +- modules/nf-core/fastqc/meta.yml | 1 + nextflow.config | 79 ++++- nextflow_schema.json | 6 + ro-crate-metadata.json | 322 ++++++++++++++++++ .../local/utils_nfcore_mag_pipeline/main.nf | 7 +- .../nf-core/utils_nextflow_pipeline/main.nf | 2 + .../tests/main.workflow.nf.test | 10 +- .../nf-core/utils_nfcore_pipeline/main.nf | 89 ++--- .../tests/main.function.nf.test | 46 ++- .../tests/main.function.nf.test.snap | 30 -- .../utils_nfschema_plugin/tests/main.nf.test | 4 +- workflows/mag.nf | 2 +- 31 files changed, 527 insertions(+), 221 deletions(-) create mode 100644 .vscode/settings.json create mode 100644 ro-crate-metadata.json diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index 67f02e93..d57d58c5 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -1,4 +1,4 @@ -# nf-core/mag: Contributing Guidelines +# `nf-core/mag`: Contributing Guidelines Hi there! Many thanks for taking an interest in improving nf-core/mag. @@ -55,9 +55,9 @@ These tests are run both with the latest available version of `Nextflow` and als :warning: Only in the unlikely and regretful event of a release happening with a bug. -- On your own fork, make a new branch `patch` based on `upstream/master`. +- On your own fork, make a new branch `patch` based on `upstream/main` or `upstream/master`. - Fix the bug, and bump version (X.Y.Z+1). -- A PR should be made on `master` from patch to directly this particular bug. +- Open a pull-request from `patch` to `main`/`master` with the changes. ## Getting help @@ -65,13 +65,13 @@ For further information/help, please consult the [nf-core/mag documentation](htt ## Pipeline contribution conventions -To make the nf-core/mag code and processing logic more understandable for new contributors and to ensure quality, we semi-standardise the way the code and other contributions are written. +To make the `nf-core/mag` code and processing logic more understandable for new contributors and to ensure quality, we semi-standardise the way the code and other contributions are written. ### Adding a new step If you wish to contribute a new step, please use the following coding standards: -1. Define the corresponding input channel into your new process from the expected previous process channel +1. Define the corresponding input channel into your new process from the expected previous process channel. 2. Write the process block (see below). 3. Define the output channel if needed (see below). 4. Add any new parameters to `nextflow.config` with a default (see below). @@ -84,7 +84,7 @@ If you wish to contribute a new step, please use the following coding standards: ### Default values -Parameters should be initialised / defined with default values in `nextflow.config` under the `params` scope. +Parameters should be initialised / defined with default values within the `params` scope in `nextflow.config`. Once there, use `nf-core pipelines schema build` to add to `nextflow_schema.json`. diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index bdeeb8b4..ed577c8e 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -1,11 +1,12 @@ name: nf-core AWS full size tests -# This workflow is triggered on PRs opened against the master branch. +# This workflow is triggered on PRs opened against the main/master branch. # It can be additionally triggered manually with GitHub actions workflow dispatch button. # It runs the -profile 'test_full' on AWS batch on: pull_request: branches: + - main - master workflow_dispatch: pull_request_review: @@ -18,18 +19,30 @@ jobs: if: github.repository == 'nf-core/mag' && github.event.review.state == 'approved' && github.event.pull_request.base.ref == 'master' || github.event_name == 'workflow_dispatch' runs-on: ubuntu-latest steps: - - uses: octokit/request-action@v2.x + - name: Get PR reviews + uses: octokit/request-action@v2.x + if: github.event_name != 'workflow_dispatch' id: check_approvals + continue-on-error: true with: - route: GET /repos/${{ github.repository }}/pulls/${{ github.event.pull_request.number }}/reviews + route: GET /repos/${{ github.repository }}/pulls/${{ github.event.pull_request.number }}/reviews?per_page=100 env: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} - - id: test_variables + + - name: Check for approvals + if: ${{ failure() && github.event_name != 'workflow_dispatch' }} + run: | + echo "No review approvals found. At least 2 approvals are required to run this action automatically." + exit 1 + + - name: Check for enough approvals (>=2) + id: test_variables if: github.event_name != 'workflow_dispatch' run: | JSON_RESPONSE='${{ steps.check_approvals.outputs.data }}' CURRENT_APPROVALS_COUNT=$(echo $JSON_RESPONSE | jq -c '[.[] | select(.state | contains("APPROVED")) ] | length') test $CURRENT_APPROVALS_COUNT -ge 2 || exit 1 # At least 2 approvals are required + - name: Launch workflow via Seqera Platform uses: seqeralabs/action-tower-launch@v2 # TODO nf-core: You can customise AWS full pipeline tests as required diff --git a/.github/workflows/branch.yml b/.github/workflows/branch.yml index cdede3cc..f5433c71 100644 --- a/.github/workflows/branch.yml +++ b/.github/workflows/branch.yml @@ -1,15 +1,17 @@ name: nf-core branch protection -# This workflow is triggered on PRs to master branch on the repository -# It fails when someone tries to make a PR against the nf-core `master` branch instead of `dev` +# This workflow is triggered on PRs to `main`/`master` branch on the repository +# It fails when someone tries to make a PR against the nf-core `main`/`master` branch instead of `dev` on: pull_request_target: - branches: [master] + branches: + - main + - master jobs: test: runs-on: ubuntu-latest steps: - # PRs to the nf-core repo master branch are only ok if coming from the nf-core repo `dev` or any `patch` branches + # PRs to the nf-core repo main/master branch are only ok if coming from the nf-core repo `dev` or any `patch` branches - name: Check PRs if: github.repository == 'nf-core/mag' run: | @@ -22,7 +24,7 @@ jobs: uses: mshick/add-pr-comment@b8f338c590a895d50bcbfa6c5859251edc8952fc # v2 with: message: | - ## This PR is against the `master` branch :x: + ## This PR is against the `${{github.event.pull_request.base.ref}}` branch :x: * Do not close this PR * Click _Edit_ and change the `base` to `dev` @@ -32,9 +34,9 @@ jobs: Hi @${{ github.event.pull_request.user.login }}, - It looks like this pull-request is has been made against the [${{github.event.pull_request.head.repo.full_name }}](https://github.com/${{github.event.pull_request.head.repo.full_name }}) `master` branch. - The `master` branch on nf-core repositories should always contain code from the latest release. - Because of this, PRs to `master` are only allowed if they come from the [${{github.event.pull_request.head.repo.full_name }}](https://github.com/${{github.event.pull_request.head.repo.full_name }}) `dev` branch. + It looks like this pull-request is has been made against the [${{github.event.pull_request.head.repo.full_name }}](https://github.com/${{github.event.pull_request.head.repo.full_name }}) ${{github.event.pull_request.base.ref}} branch. + The ${{github.event.pull_request.base.ref}} branch on nf-core repositories should always contain code from the latest release. + Because of this, PRs to ${{github.event.pull_request.base.ref}} are only allowed if they come from the [${{github.event.pull_request.head.repo.full_name }}](https://github.com/${{github.event.pull_request.head.repo.full_name }}) `dev` branch. You do not need to close this PR, you can change the target branch to `dev` by clicking the _"Edit"_ button at the top of this page. Note that even after this, the test will continue to show as failing until you push a new commit. diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index ccb0d1e5..e388119e 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -45,7 +45,7 @@ jobs: profile: "singularity" steps: - name: Check out pipeline code - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4 - name: Set up Nextflow uses: nf-core/setup-nextflow@v2 diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml index 713dc3e7..2576cc0c 100644 --- a/.github/workflows/download_pipeline.yml +++ b/.github/workflows/download_pipeline.yml @@ -2,7 +2,7 @@ name: Test successful pipeline download with 'nf-core pipelines download' # Run the workflow when: # - dispatched manually -# - when a PR is opened or reopened to master branch +# - when a PR is opened or reopened to main/master branch # - the head branch of the pull request is updated, i.e. if fixes for a release are pushed last minute to dev. on: workflow_dispatch: @@ -17,9 +17,11 @@ on: - edited - synchronize branches: + - main - master pull_request_target: branches: + - main - master env: @@ -35,7 +37,7 @@ jobs: - name: Disk space cleanup uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5 + - uses: actions/setup-python@0b93645e9fea7318ecaed2b359559ac225c90a2b # v5 with: python-version: "3.12" architecture: "x64" @@ -69,7 +71,7 @@ jobs: --outdir ./${{ env.REPOTITLE_LOWERCASE }} \ --compress "none" \ --container-system 'singularity' \ - --container-library "quay.io" -l "docker.io" -l "community.wave.seqera.io" \ + --container-library "quay.io" -l "docker.io" -l "community.wave.seqera.io/library/" \ --container-cache-utilisation 'amend' \ --download-configuration 'yes' diff --git a/.github/workflows/fix-linting.yml b/.github/workflows/fix-linting.yml index 7e078152..b43318ef 100644 --- a/.github/workflows/fix-linting.yml +++ b/.github/workflows/fix-linting.yml @@ -13,7 +13,7 @@ jobs: runs-on: ubuntu-latest steps: # Use the @nf-core-bot token to check out so we can push later - - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + - uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4 with: token: ${{ secrets.nf_core_bot_auth_token }} @@ -32,7 +32,7 @@ jobs: GITHUB_TOKEN: ${{ secrets.nf_core_bot_auth_token }} # Install and run pre-commit - - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5 + - uses: actions/setup-python@0b93645e9fea7318ecaed2b359559ac225c90a2b # v5 with: python-version: "3.12" diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index a502573c..dbd52d5a 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -14,10 +14,10 @@ jobs: pre-commit: runs-on: ubuntu-latest steps: - - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + - uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4 - name: Set up Python 3.12 - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5 + uses: actions/setup-python@0b93645e9fea7318ecaed2b359559ac225c90a2b # v5 with: python-version: "3.12" @@ -31,12 +31,12 @@ jobs: runs-on: ubuntu-latest steps: - name: Check out pipeline code - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4 - name: Install Nextflow uses: nf-core/setup-nextflow@v2 - - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5 + - uses: actions/setup-python@0b93645e9fea7318ecaed2b359559ac225c90a2b # v5 with: python-version: "3.12" architecture: "x64" @@ -74,7 +74,7 @@ jobs: - name: Upload linting log file artifact if: ${{ always() }} - uses: actions/upload-artifact@65462800fd760344b1a7b4382951275a0abb4808 # v4 + uses: actions/upload-artifact@b4b15b8c7c6ac21ea08fcf65892d2ee8f75cf882 # v4 with: name: linting-logs path: | diff --git a/.github/workflows/linting_comment.yml b/.github/workflows/linting_comment.yml index 42e519bf..0bed96d3 100644 --- a/.github/workflows/linting_comment.yml +++ b/.github/workflows/linting_comment.yml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Download lint results - uses: dawidd6/action-download-artifact@bf251b5aa9c2f7eeb574a96ee720e24f801b7c11 # v6 + uses: dawidd6/action-download-artifact@80620a5d27ce0ae443b965134db88467fc607b43 # v7 with: workflow: linting.yml workflow_conclusion: completed diff --git a/.github/workflows/release-announcements.yml b/.github/workflows/release-announcements.yml index c6ba35df..450b1d5e 100644 --- a/.github/workflows/release-announcements.yml +++ b/.github/workflows/release-announcements.yml @@ -31,7 +31,7 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5 + - uses: actions/setup-python@0b93645e9fea7318ecaed2b359559ac225c90a2b # v5 with: python-version: "3.10" - name: Install dependencies diff --git a/.github/workflows/template_version_comment.yml b/.github/workflows/template_version_comment.yml index e8aafe44..537529bc 100644 --- a/.github/workflows/template_version_comment.yml +++ b/.github/workflows/template_version_comment.yml @@ -9,7 +9,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Check out pipeline code - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4 with: ref: ${{ github.event.pull_request.head.sha }} diff --git a/.gitpod.yml b/.gitpod.yml index 46118637..83599f63 100644 --- a/.gitpod.yml +++ b/.gitpod.yml @@ -6,12 +6,5 @@ tasks: nextflow self-update vscode: - extensions: # based on nf-core.nf-core-extensionpack - #- esbenp.prettier-vscode # Markdown/CommonMark linting and style checking for Visual Studio Code - - EditorConfig.EditorConfig # override user/workspace settings with settings found in .editorconfig files - - Gruntfuggly.todo-tree # Display TODO and FIXME in a tree view in the activity bar - - mechatroner.rainbow-csv # Highlight columns in csv files in different colors - - nextflow.nextflow # Nextflow syntax highlighting - - oderwat.indent-rainbow # Highlight indentation level - - streetsidesoftware.code-spell-checker # Spelling checker for source code - - charliermarsh.ruff # Code linter Ruff + extensions: + - nf-core.nf-core-extensionpack # https://github.com/nf-core/vscode-extensionpack diff --git a/.nf-core.yml b/.nf-core.yml index e6a21023..e724a711 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -1,4 +1,3 @@ -bump_version: null lint: files_unchanged: - lib/NfcoreTemplate.groovy @@ -6,8 +5,7 @@ lint: - config_defaults: - params.phix_reference - params.lambda_reference -nf_core_version: 3.0.2 -org_path: null +nf_core_version: 3.1.0 repository_type: pipeline template: author: "Hadrien Gourl\xE9, Daniel Straub, Sabrina Krakau, James A. Fellows Yates,\ @@ -18,6 +16,4 @@ template: name: mag org: nf-core outdir: . - skip_features: null - version: 3.1.1dev -update: null + version: 3.3.0dev diff --git a/.vscode/settings.json b/.vscode/settings.json new file mode 100644 index 00000000..a33b527c --- /dev/null +++ b/.vscode/settings.json @@ -0,0 +1,3 @@ +{ + "markdown.styles": ["public/vscode_markdown.css"] +} diff --git a/CHANGELOG.md b/CHANGELOG.md index 6d4243a4..c8383add 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v3.1.1dev - [date] +## v3.3.0dev - [date] Initial release of nf-core/mag, created with the [nf-core](https://nf-co.re/) template. diff --git a/conf/base.config b/conf/base.config index de424b35..023ce613 100644 --- a/conf/base.config +++ b/conf/base.config @@ -20,7 +20,7 @@ process { maxErrors = '-1' // Process-specific resource requirements - // NOTE - Please try and re-use the labels below as much as possible. + // NOTE - Please try and reuse the labels below as much as possible. // These labels are used and recognised by default in DSL2 files hosted on nf-core/modules. // If possible, it would be nice to keep the same label naming convention when // adding in your local modules too. diff --git a/conf/modules.config b/conf/modules.config index d266a387..d203d2b6 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -21,6 +21,7 @@ process { withName: FASTQC { ext.args = '--quiet' } + withName: 'MULTIQC' { ext.args = { params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' } publishDir = [ diff --git a/docs/usage.md b/docs/usage.md index bde39445..79be2ab9 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -75,9 +75,8 @@ If you wish to repeatedly use the same parameters for multiple runs, rather than Pipeline settings can be provided in a `yaml` or `json` file via `-params-file `. -:::warning -Do not use `-c ` to specify parameters as this will result in errors. Custom config files specified with `-c` must only be used for [tuning process resource specifications](https://nf-co.re/docs/usage/configuration#tuning-workflow-resources), other infrastructural tweaks (such as output directories), or module arguments (args). -::: +> [!WARNING] +> Do not use `-c ` to specify parameters as this will result in errors. Custom config files specified with `-c` must only be used for [tuning process resource specifications](https://nf-co.re/docs/usage/configuration#tuning-workflow-resources), other infrastructural tweaks (such as output directories), or module arguments (args). The above pipeline run specified with a params file in yaml format: @@ -106,23 +105,21 @@ nextflow pull nf-core/mag ### Reproducibility -It is a good idea to specify a pipeline version when running the pipeline on your data. This ensures that a specific version of the pipeline code and software are used when you run your pipeline. If you keep using the same tag, you'll be running the same version of the pipeline, even if there have been changes to the code since. +It is a good idea to specify the pipeline version when running the pipeline on your data. This ensures that a specific version of the pipeline code and software are used when you run your pipeline. If you keep using the same tag, you'll be running the same version of the pipeline, even if there have been changes to the code since. First, go to the [nf-core/mag releases page](https://github.com/nf-core/mag/releases) and find the latest pipeline version - numeric only (eg. `1.3.1`). Then specify this when running the pipeline with `-r` (one hyphen) - eg. `-r 1.3.1`. Of course, you can switch to another version by changing the number after the `-r` flag. This version number will be logged in reports when you run the pipeline, so that you'll know what you used when you look back in the future. For example, at the bottom of the MultiQC reports. -To further assist in reproducbility, you can use share and re-use [parameter files](#running-the-pipeline) to repeat pipeline runs with the same settings without having to write out a command with every single parameter. +To further assist in reproducibility, you can use share and reuse [parameter files](#running-the-pipeline) to repeat pipeline runs with the same settings without having to write out a command with every single parameter. -:::tip -If you wish to share such profile (such as upload as supplementary material for academic publications), make sure to NOT include cluster specific paths to files, nor institutional specific profiles. -::: +> [!TIP] +> If you wish to share such profile (such as upload as supplementary material for academic publications), make sure to NOT include cluster specific paths to files, nor institutional specific profiles. ## Core Nextflow arguments -:::note -These options are part of Nextflow and use a _single_ hyphen (pipeline parameters use a double-hyphen). -::: +> [!NOTE] +> These options are part of Nextflow and use a _single_ hyphen (pipeline parameters use a double-hyphen) ### `-profile` @@ -130,16 +127,15 @@ Use this parameter to choose a configuration profile. Profiles can give configur Several generic profiles are bundled with the pipeline which instruct the pipeline to use software packaged using different methods (Docker, Singularity, Podman, Shifter, Charliecloud, Apptainer, Conda) - see below. -:::info -We highly recommend the use of Docker or Singularity containers for full pipeline reproducibility, however when this is not possible, Conda is also supported. -::: +> [!IMPORTANT] +> We highly recommend the use of Docker or Singularity containers for full pipeline reproducibility, however when this is not possible, Conda is also supported. -The pipeline also dynamically loads configurations from [https://github.com/nf-core/configs](https://github.com/nf-core/configs) when it runs, making multiple config profiles for various institutional clusters available at run time. For more information and to see if your system is available in these configs please see the [nf-core/configs documentation](https://github.com/nf-core/configs#documentation). +The pipeline also dynamically loads configurations from [https://github.com/nf-core/configs](https://github.com/nf-core/configs) when it runs, making multiple config profiles for various institutional clusters available at run time. For more information and to check if your system is suported, please see the [nf-core/configs documentation](https://github.com/nf-core/configs#documentation). Note that multiple profiles can be loaded, for example: `-profile test,docker` - the order of arguments is important! They are loaded in sequence, so later profiles can overwrite earlier profiles. -If `-profile` is not specified, the pipeline will run locally and expect all software to be installed and available on the `PATH`. This is _not_ recommended, since it can lead to different results on different machines dependent on the computer enviroment. +If `-profile` is not specified, the pipeline will run locally and expect all software to be installed and available on the `PATH`. This is _not_ recommended, since it can lead to different results on different machines dependent on the computer environment. - `test` - A profile with a complete configuration for automated testing @@ -175,13 +171,13 @@ Specify the path to a specific config file (this is a core Nextflow command). Se ### Resource requests -Whilst the default requirements set within the pipeline will hopefully work for most people and with most input data, you may find that you want to customise the compute resources that the pipeline requests. Each step in the pipeline has a default set of requirements for number of CPUs, memory and time. For most of the steps in the pipeline, if the job exits with any of the error codes specified [here](https://github.com/nf-core/rnaseq/blob/4c27ef5610c87db00c3c5a3eed10b1d161abf575/conf/base.config#L18) it will automatically be resubmitted with higher requests (2 x original, then 3 x original). If it still fails after the third attempt then the pipeline execution is stopped. +Whilst the default requirements set within the pipeline will hopefully work for most people and with most input data, you may find that you want to customise the compute resources that the pipeline requests. Each step in the pipeline has a default set of requirements for number of CPUs, memory and time. For most of the pipeline steps, if the job exits with any of the error codes specified [here](https://github.com/nf-core/rnaseq/blob/4c27ef5610c87db00c3c5a3eed10b1d161abf575/conf/base.config#L18) it will automatically be resubmitted with higher resources request (2 x original, then 3 x original). If it still fails after the third attempt then the pipeline execution is stopped. To change the resource requests, please see the [max resources](https://nf-co.re/docs/usage/configuration#max-resources) and [tuning workflow resources](https://nf-co.re/docs/usage/configuration#tuning-workflow-resources) section of the nf-core website. ### Custom Containers -In some cases you may wish to change which container or conda environment a step of the pipeline uses for a particular tool. By default nf-core pipelines use containers and software from the [biocontainers](https://biocontainers.pro/) or [bioconda](https://bioconda.github.io/) projects. However in some cases the pipeline specified version maybe out of date. +In some cases, you may wish to change the container or conda environment used by a pipeline steps for a particular tool. By default, nf-core pipelines use containers and software from the [biocontainers](https://biocontainers.pro/) or [bioconda](https://bioconda.github.io/) projects. However, in some cases the pipeline specified version maybe out of date. To use a different container from the default container or conda environment specified in a pipeline, please see the [updating tool versions](https://nf-co.re/docs/usage/configuration#updating-tool-versions) section of the nf-core website. diff --git a/modules.json b/modules.json index 0e7baa5b..7fd3aee1 100644 --- a/modules.json +++ b/modules.json @@ -7,7 +7,7 @@ "nf-core": { "fastqc": { "branch": "master", - "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "git_sha": "dc94b6ee04a05ddb9f7ae050712ff30a13149164", "installed_by": ["modules"] }, "multiqc": { @@ -21,17 +21,17 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "3aa0aec1d52d492fe241919f0c6100ebf0074082", + "git_sha": "c2b22d85f30a706a3073387f30380704fcae013b", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "1b6b9a3338d011367137808b49b923515080e3ba", + "git_sha": "51ae5406a030d4da1e49e4dab49756844fdd6c7a", "installed_by": ["subworkflows"] }, "utils_nfschema_plugin": { "branch": "master", - "git_sha": "bbd5a41f4535a8defafe6080e00ea74c45f4f96c", + "git_sha": "2fd2cd6d0e7b273747f32e465fdc6bcc3ae0814e", "installed_by": ["subworkflows"] } } diff --git a/modules/nf-core/fastqc/main.nf b/modules/nf-core/fastqc/main.nf index d8989f48..752c3a10 100644 --- a/modules/nf-core/fastqc/main.nf +++ b/modules/nf-core/fastqc/main.nf @@ -24,7 +24,7 @@ process FASTQC { // Make list of old name and new name pairs to use for renaming in the bash while loop def old_new_pairs = reads instanceof Path || reads.size() == 1 ? [[ reads, "${prefix}.${reads.extension}" ]] : reads.withIndex().collect { entry, index -> [ entry, "${prefix}_${index + 1}.${entry.extension}" ] } def rename_to = old_new_pairs*.join(' ').join(' ') - def renamed_files = old_new_pairs.collect{ old_name, new_name -> new_name }.join(' ') + def renamed_files = old_new_pairs.collect{ _old_name, new_name -> new_name }.join(' ') // The total amount of allocated RAM by FastQC is equal to the number of threads defined (--threads) time the amount of RAM defined (--memory) // https://github.com/s-andrews/FastQC/blob/1faeea0412093224d7f6a07f777fad60a5650795/fastqc#L211-L222 diff --git a/modules/nf-core/fastqc/meta.yml b/modules/nf-core/fastqc/meta.yml index 4827da7a..2b2e62b8 100644 --- a/modules/nf-core/fastqc/meta.yml +++ b/modules/nf-core/fastqc/meta.yml @@ -11,6 +11,7 @@ tools: FastQC gives general quality metrics about your reads. It provides information about the quality score distribution across your reads, the per base sequence content (%A/C/G/T). + You get information about adapter contamination and other overrepresented sequences. homepage: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/ diff --git a/nextflow.config b/nextflow.config index 7dd36830..013de866 100644 --- a/nextflow.config +++ b/nextflow.config @@ -38,8 +38,7 @@ params { show_hidden = false version = false pipelines_testdata_base_path = 'https://raw.githubusercontent.com/nf-core/test-datasets/' - - // Config options + trace_report_suffix = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss')// Config options config_profile_name = null config_profile_description = null @@ -153,6 +152,13 @@ profiles { executor.name = 'local' executor.cpus = 4 executor.memory = 8.GB + process { + resourceLimits = [ + memory: 8.GB, + cpus : 4, + time : 1.h + ] + } } test { includeConfig 'conf/test.config' } test_full { includeConfig 'conf/test_full.config' } @@ -201,32 +207,75 @@ set -C # No clobber - prevent output redirection from overwriting files. // Disable process selector warnings by default. Use debug profile to enable warnings. nextflow.enable.configProcessNamesValidation = false -def trace_timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') timeline { enabled = true - file = "${params.outdir}/pipeline_info/execution_timeline_${trace_timestamp}.html" + file = "${params.outdir}/pipeline_info/execution_timeline_${params.trace_report_suffix}.html" } report { enabled = true - file = "${params.outdir}/pipeline_info/execution_report_${trace_timestamp}.html" + file = "${params.outdir}/pipeline_info/execution_report_${params.trace_report_suffix}.html" } trace { enabled = true - file = "${params.outdir}/pipeline_info/execution_trace_${trace_timestamp}.txt" + file = "${params.outdir}/pipeline_info/execution_trace_${params.trace_report_suffix}.txt" } dag { enabled = true - file = "${params.outdir}/pipeline_info/pipeline_dag_${trace_timestamp}.html" + file = "${params.outdir}/pipeline_info/pipeline_dag_${params.trace_report_suffix}.html" } manifest { name = 'nf-core/mag' - author = """Hadrien Gourlé, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, Maxime Borry""" + author = """Hadrien Gourlé, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, Maxime Borry""" // The author field is deprecated from Nextflow version 24.10.0, use contributors instead + contributors = [ + // TODO nf-core: Update the field with the details of the contributors to your pipeline. New with Nextflow version 24.10.0 + [ + name: 'Hadrien Gourlé', + affiliation: '', + email: '', + github: '', + contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '' + ], + [ + name: ' Daniel Straub', + affiliation: '', + email: '', + github: '', + contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '' + ], + [ + name: ' Sabrina Krakau', + affiliation: '', + email: '', + github: '', + contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '' + ], + [ + name: ' James A. Fellows Yates', + affiliation: '', + email: '', + github: '', + contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '' + ], + [ + name: ' Maxime Borry', + affiliation: '', + email: '', + github: '', + contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '' + ], + ] homePage = 'https://github.com/nf-core/mag' description = """Assembly, binning and annotation of metagenomes""" mainScript = 'main.nf' + defaultBranch = 'master' nextflowVersion = '!>=24.04.2' - version = '3.1.1dev' + version = '3.3.0dev' doi = '' } @@ -237,9 +286,10 @@ plugins { validation { defaultIgnoreParams = ["genomes"] + monochromeLogs = params.monochrome_logs help { enabled = true - command = "nextflow run $manifest.name -profile --input samplesheet.csv --outdir " + command = "nextflow run nf-core/mag -profile --input samplesheet.csv --outdir " fullParameter = "help_full" showHiddenParameter = "show_hidden" beforeText = """ @@ -249,15 +299,15 @@ validation { \033[0;34m |\\ | |__ __ / ` / \\ |__) |__ \033[0;33m} {\033[0m \033[0;34m | \\| | \\__, \\__/ | \\ |___ \033[0;32m\\`-._,-`-,\033[0m \033[0;32m`._,._,\'\033[0m -\033[0;35m ${manifest.name} ${manifest.version}\033[0m +\033[0;35m nf-core/mag ${manifest.version}\033[0m -\033[2m----------------------------------------------------\033[0m- """ - afterText = """${manifest.doi ? "* The pipeline\n" : ""}${manifest.doi.tokenize(",").collect { " https://doi.org/${it.trim().replace('https://doi.org/','')}"}.join("\n")}${manifest.doi ? "\n" : ""} + afterText = """${manifest.doi ? "\n* The pipeline\n" : ""}${manifest.doi.tokenize(",").collect { " https://doi.org/${it.trim().replace('https://doi.org/','')}"}.join("\n")}${manifest.doi ? "\n" : ""} * The nf-core framework https://doi.org/10.1038/s41587-020-0439-x * Software dependencies - https://github.com/${manifest.name}/blob/master/CITATIONS.md + https://github.com/nf-core/mag/blob/master/CITATIONS.md """ } summary { @@ -265,6 +315,3 @@ validation { afterText = validation.help.afterText } } - -// Load modules.config for DSL2 module specific options -includeConfig 'conf/modules.config' diff --git a/nextflow_schema.json b/nextflow_schema.json index 08beeafb..5f022229 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -218,6 +218,12 @@ "description": "Base URL or local path to location of pipeline test dataset files", "default": "https://raw.githubusercontent.com/nf-core/test-datasets/", "hidden": true + }, + "trace_report_suffix": { + "type": "string", + "fa_icon": "far calendar", + "description": "Suffix to add to the trace report filename. Default is the date and time in the format yyyy-MM-dd_HH-mm-ss.", + "hidden": true } } } diff --git a/ro-crate-metadata.json b/ro-crate-metadata.json new file mode 100644 index 00000000..b54d1610 --- /dev/null +++ b/ro-crate-metadata.json @@ -0,0 +1,322 @@ +{ + "@context": [ + "https://w3id.org/ro/crate/1.1/context", + { + "GithubService": "https://w3id.org/ro/terms/test#GithubService", + "JenkinsService": "https://w3id.org/ro/terms/test#JenkinsService", + "PlanemoEngine": "https://w3id.org/ro/terms/test#PlanemoEngine", + "TestDefinition": "https://w3id.org/ro/terms/test#TestDefinition", + "TestInstance": "https://w3id.org/ro/terms/test#TestInstance", + "TestService": "https://w3id.org/ro/terms/test#TestService", + "TestSuite": "https://w3id.org/ro/terms/test#TestSuite", + "TravisService": "https://w3id.org/ro/terms/test#TravisService", + "definition": "https://w3id.org/ro/terms/test#definition", + "engineVersion": "https://w3id.org/ro/terms/test#engineVersion", + "instance": "https://w3id.org/ro/terms/test#instance", + "resource": "https://w3id.org/ro/terms/test#resource", + "runsOn": "https://w3id.org/ro/terms/test#runsOn" + } + ], + "@graph": [ + { + "@id": "./", + "@type": "Dataset", + "creativeWorkStatus": "InProgress", + "datePublished": "2024-12-12T11:22:57+00:00", + "description": "

\n \n \n \"nf-core/mag\"\n \n

\n\n[![GitHub Actions CI Status](https://github.com/nf-core/mag/actions/workflows/ci.yml/badge.svg)](https://github.com/nf-core/mag/actions/workflows/ci.yml)\n[![GitHub Actions Linting Status](https://github.com/nf-core/mag/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/mag/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/mag/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX)\n[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com)\n\n[![Nextflow](https://img.shields.io/badge/nextflow%20DSL2-%E2%89%A524.04.2-23aa62.svg)](https://www.nextflow.io/)\n[![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/)\n[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)\n[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)\n[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/mag)\n\n[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23mag-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/mag)[![Follow on Twitter](http://img.shields.io/badge/twitter-%40nf__core-1DA1F2?labelColor=000000&logo=twitter)](https://twitter.com/nf_core)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)\n\n## Introduction\n\n**nf-core/mag** is a bioinformatics pipeline that ...\n\n\n\n\n\n\n1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))\n2. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))\n\n## Usage\n\n> [!NOTE]\n> If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/usage/installation) on how to set-up Nextflow. Make sure to [test your setup](https://nf-co.re/docs/usage/introduction#how-to-run-a-pipeline) with `-profile test` before running the workflow on actual data.\n\n\n\nNow, you can run the pipeline using:\n\n\n\n```bash\nnextflow run nf-core/mag \\\n -profile \\\n --input samplesheet.csv \\\n --outdir \n```\n\n> [!WARNING]\n> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; see [docs](https://nf-co.re/docs/usage/getting_started/configuration#custom-configuration-files).\n\nFor more details and further functionality, please refer to the [usage documentation](https://nf-co.re/mag/usage) and the [parameter documentation](https://nf-co.re/mag/parameters).\n\n## Pipeline output\n\nTo see the results of an example test run with a full size dataset refer to the [results](https://nf-co.re/mag/results) tab on the nf-core website pipeline page.\nFor more details about the output files and reports, please refer to the\n[output documentation](https://nf-co.re/mag/output).\n\n## Credits\n\nnf-core/mag was originally written by Hadrien Gourl\u00e9, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, Maxime Borry.\n\nWe thank the following people for their extensive assistance in the development of this pipeline:\n\n\n\n## Contributions and Support\n\nIf you would like to contribute to this pipeline, please see the [contributing guidelines](.github/CONTRIBUTING.md).\n\nFor further information or help, don't hesitate to get in touch on the [Slack `#mag` channel](https://nfcore.slack.com/channels/mag) (you can join with [this invite](https://nf-co.re/join/slack)).\n\n## Citations\n\n\n\n\n\n\nAn extensive list of references for the tools used by the pipeline can be found in the [`CITATIONS.md`](CITATIONS.md) file.\n\nYou can cite the `nf-core` publication as follows:\n\n> **The nf-core framework for community-curated bioinformatics pipelines.**\n>\n> Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.\n>\n> _Nat Biotechnol._ 2020 Feb 13. doi: [10.1038/s41587-020-0439-x](https://dx.doi.org/10.1038/s41587-020-0439-x).\n", + "hasPart": [ + { + "@id": "main.nf" + }, + { + "@id": "assets/" + }, + { + "@id": "conf/" + }, + { + "@id": "docs/" + }, + { + "@id": "docs/images/" + }, + { + "@id": "modules/" + }, + { + "@id": "modules/nf-core/" + }, + { + "@id": "workflows/" + }, + { + "@id": "subworkflows/" + }, + { + "@id": "nextflow.config" + }, + { + "@id": "README.md" + }, + { + "@id": "nextflow_schema.json" + }, + { + "@id": "CHANGELOG.md" + }, + { + "@id": "LICENSE" + }, + { + "@id": "CODE_OF_CONDUCT.md" + }, + { + "@id": "CITATIONS.md" + }, + { + "@id": "modules.json" + }, + { + "@id": "docs/usage.md" + }, + { + "@id": "docs/output.md" + }, + { + "@id": ".nf-core.yml" + }, + { + "@id": ".pre-commit-config.yaml" + }, + { + "@id": ".prettierignore" + } + ], + "isBasedOn": "https://github.com/nf-core/mag", + "license": "MIT", + "mainEntity": { + "@id": "main.nf" + }, + "mentions": [ + { + "@id": "#f5c35f33-89eb-4925-b3dc-fb80b4df13ff" + } + ], + "name": "nf-core/mag" + }, + { + "@id": "ro-crate-metadata.json", + "@type": "CreativeWork", + "about": { + "@id": "./" + }, + "conformsTo": [ + { + "@id": "https://w3id.org/ro/crate/1.1" + }, + { + "@id": "https://w3id.org/workflowhub/workflow-ro-crate/1.0" + } + ] + }, + { + "@id": "main.nf", + "@type": ["File", "SoftwareSourceCode", "ComputationalWorkflow"], + "creator": [ + { + "@id": "https://orcid.org/0000-0001-9807-1082" + } + ], + "dateCreated": "", + "dateModified": "2024-12-12T11:22:57Z", + "dct:conformsTo": "https://bioschemas.org/profiles/ComputationalWorkflow/1.0-RELEASE/", + "keywords": [ + "nf-core", + "nextflow", + "annotation", + "assembly", + "binning", + "long-read-sequencing", + "metagenomes", + "metagenomics", + "nanopore", + "nanopore-sequencing" + ], + "license": ["MIT"], + "maintainer": [ + { + "@id": "https://orcid.org/0000-0001-9807-1082" + } + ], + "name": ["nf-core/mag"], + "programmingLanguage": { + "@id": "https://w3id.org/workflowhub/workflow-ro-crate#nextflow" + }, + "sdPublisher": { + "@id": "https://nf-co.re/" + }, + "url": ["https://github.com/nf-core/mag", "https://nf-co.re/mag/dev/"], + "version": ["3.3.0dev"] + }, + { + "@id": "https://w3id.org/workflowhub/workflow-ro-crate#nextflow", + "@type": "ComputerLanguage", + "identifier": { + "@id": "https://www.nextflow.io/" + }, + "name": "Nextflow", + "url": { + "@id": "https://www.nextflow.io/" + }, + "version": "!>=24.04.2" + }, + { + "@id": "#f5c35f33-89eb-4925-b3dc-fb80b4df13ff", + "@type": "TestSuite", + "instance": [ + { + "@id": "#0df4de77-f6ba-43d7-854f-cdb31291094a" + } + ], + "mainEntity": { + "@id": "main.nf" + }, + "name": "Test suite for nf-core/mag" + }, + { + "@id": "#0df4de77-f6ba-43d7-854f-cdb31291094a", + "@type": "TestInstance", + "name": "GitHub Actions workflow for testing nf-core/mag", + "resource": "repos/nf-core/mag/actions/workflows/ci.yml", + "runsOn": { + "@id": "https://w3id.org/ro/terms/test#GithubService" + }, + "url": "https://api.github.com" + }, + { + "@id": "https://w3id.org/ro/terms/test#GithubService", + "@type": "TestService", + "name": "Github Actions", + "url": { + "@id": "https://github.com" + } + }, + { + "@id": "assets/", + "@type": "Dataset", + "description": "Additional files" + }, + { + "@id": "conf/", + "@type": "Dataset", + "description": "Configuration files" + }, + { + "@id": "docs/", + "@type": "Dataset", + "description": "Markdown files for documenting the pipeline" + }, + { + "@id": "docs/images/", + "@type": "Dataset", + "description": "Images for the documentation files" + }, + { + "@id": "modules/", + "@type": "Dataset", + "description": "Modules used by the pipeline" + }, + { + "@id": "modules/nf-core/", + "@type": "Dataset", + "description": "nf-core modules" + }, + { + "@id": "workflows/", + "@type": "Dataset", + "description": "Main pipeline workflows to be executed in main.nf" + }, + { + "@id": "subworkflows/", + "@type": "Dataset", + "description": "Smaller subworkflows" + }, + { + "@id": "nextflow.config", + "@type": "File", + "description": "Main Nextflow configuration file" + }, + { + "@id": "README.md", + "@type": "File", + "description": "Basic pipeline usage information" + }, + { + "@id": "nextflow_schema.json", + "@type": "File", + "description": "JSON schema for pipeline parameter specification" + }, + { + "@id": "CHANGELOG.md", + "@type": "File", + "description": "Information on changes made to the pipeline" + }, + { + "@id": "LICENSE", + "@type": "File", + "description": "The license - should be MIT" + }, + { + "@id": "CODE_OF_CONDUCT.md", + "@type": "File", + "description": "The nf-core code of conduct" + }, + { + "@id": "CITATIONS.md", + "@type": "File", + "description": "Citations needed when using the pipeline" + }, + { + "@id": "modules.json", + "@type": "File", + "description": "Version information for modules from nf-core/modules" + }, + { + "@id": "docs/usage.md", + "@type": "File", + "description": "Usage documentation" + }, + { + "@id": "docs/output.md", + "@type": "File", + "description": "Output documentation" + }, + { + "@id": ".nf-core.yml", + "@type": "File", + "description": "nf-core configuration file, configuring template features and linting rules" + }, + { + "@id": ".pre-commit-config.yaml", + "@type": "File", + "description": "Configuration file for pre-commit hooks" + }, + { + "@id": ".prettierignore", + "@type": "File", + "description": "Ignore file for prettier" + }, + { + "@id": "https://nf-co.re/", + "@type": "Organization", + "name": "nf-core", + "url": "https://nf-co.re/" + }, + { + "@id": "https://orcid.org/0000-0001-9807-1082", + "@type": "Person", + "email": "gourlehadrien@gmail.com", + "name": "Hadrien Gourl\u00e9" + } + ] +} diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index 0cb9e155..af90a104 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -116,7 +116,8 @@ workflow PIPELINE_COMPLETION { main: summary_params = paramsSummaryMap(workflow, parameters_schema: "nextflow_schema.json") - + def multiqc_reports = multiqc_report.toList() + // // Completion email and summary // @@ -129,7 +130,7 @@ workflow PIPELINE_COMPLETION { plaintext_email, outdir, monochrome_logs, - multiqc_report.toList() + multiqc_reports.getVal(), ) } @@ -225,7 +226,7 @@ def toolBibliographyText() { } def methodsDescriptionText(mqc_methods_yaml) { - // Convert to a named map so can be used as with familar NXF ${workflow} variable syntax in the MultiQC YML file + // Convert to a named map so can be used as with familiar NXF ${workflow} variable syntax in the MultiQC YML file def meta = [:] meta.workflow = workflow.toMap() meta["manifest_map"] = workflow.manifest.toMap() diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index 0fcbf7b3..d6e593e8 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -92,10 +92,12 @@ def checkCondaChannels() { channels = config.channels } catch (NullPointerException e) { + log.debug(e) log.warn("Could not verify conda channel configuration.") return null } catch (IOException e) { + log.debug(e) log.warn("Could not verify conda channel configuration.") return null } diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test index ca964ce8..02dbf094 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/main.workflow.nf.test @@ -52,10 +52,12 @@ nextflow_workflow { } then { - assertAll( - { assert workflow.success }, - { assert workflow.stdout.contains("nextflow_workflow v9.9.9") } - ) + expect { + with(workflow) { + assert success + assert "nextflow_workflow v9.9.9" in stdout + } + } } } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index 5cb7bafe..bfd25876 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -56,21 +56,6 @@ def checkProfileProvided(nextflow_cli_args) { } } -// -// Citation string for pipeline -// -def workflowCitation() { - def temp_doi_ref = "" - def manifest_doi = workflow.manifest.doi.tokenize(",") - // Handling multiple DOIs - // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers - // Removing ` ` since the manifest.doi is a string and not a proper list - manifest_doi.each { doi_ref -> - temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" - } - return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + "* The pipeline\n" + temp_doi_ref + "\n" + "* The nf-core framework\n" + " https://doi.org/10.1038/s41587-020-0439-x\n\n" + "* Software dependencies\n" + " https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md" -} - // // Generate workflow version string // @@ -150,33 +135,6 @@ def paramsSummaryMultiqc(summary_params) { return yaml_file_text } -// -// nf-core logo -// -def nfCoreLogo(monochrome_logs=true) { - def colors = logColours(monochrome_logs) as Map - String.format( - """\n - ${dashedLine(monochrome_logs)} - ${colors.green},--.${colors.black}/${colors.green},-.${colors.reset} - ${colors.blue} ___ __ __ __ ___ ${colors.green}/,-._.--~\'${colors.reset} - ${colors.blue} |\\ | |__ __ / ` / \\ |__) |__ ${colors.yellow}} {${colors.reset} - ${colors.blue} | \\| | \\__, \\__/ | \\ |___ ${colors.green}\\`-._,-`-,${colors.reset} - ${colors.green}`._,._,\'${colors.reset} - ${colors.purple} ${workflow.manifest.name} ${getWorkflowVersion()}${colors.reset} - ${dashedLine(monochrome_logs)} - """.stripIndent() - ) -} - -// -// Return dashed line -// -def dashedLine(monochrome_logs=true) { - def colors = logColours(monochrome_logs) as Map - return "-${colors.dim}----------------------------------------------------${colors.reset}-" -} - // // ANSII colours used for terminal logging // @@ -245,28 +203,24 @@ def logColours(monochrome_logs=true) { return colorcodes } -// -// Attach the multiqc report to email -// -def attachMultiqcReport(multiqc_report) { - def mqc_report = null - try { - if (workflow.success) { - mqc_report = multiqc_report.getVal() - if (mqc_report.getClass() == ArrayList && mqc_report.size() >= 1) { - if (mqc_report.size() > 1) { - log.warn("[${workflow.manifest.name}] Found multiple reports from process 'MULTIQC', will use only one") - } - mqc_report = mqc_report[0] - } +// Return a single report from an object that may be a Path or List +// +def getSingleReport(multiqc_reports) { + if (multiqc_reports instanceof Path) { + return multiqc_reports + } else if (multiqc_reports instanceof List) { + if (multiqc_reports.size() == 0) { + log.warn("[${workflow.manifest.name}] No reports found from process 'MULTIQC'") + return null + } else if (multiqc_reports.size() == 1) { + return multiqc_reports.first() + } else { + log.warn("[${workflow.manifest.name}] Found multiple reports from process 'MULTIQC', will use only one") + return multiqc_reports.first() } + } else { + return null } - catch (Exception all) { - if (multiqc_report) { - log.warn("[${workflow.manifest.name}] Could not attach MultiQC report to summary email") - } - } - return mqc_report } // @@ -320,7 +274,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi email_fields['summary'] = summary << misc_fields // On success try attach the multiqc report - def mqc_report = attachMultiqcReport(multiqc_report) + def mqc_report = getSingleReport(multiqc_report) // Check if we are only sending emails on failure def email_address = email @@ -340,7 +294,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi def email_html = html_template.toString() // Render the sendmail template - def max_multiqc_email_size = (params.containsKey('max_multiqc_email_size') ? params.max_multiqc_email_size : 0) as nextflow.util.MemoryUnit + def max_multiqc_email_size = (params.containsKey('max_multiqc_email_size') ? params.max_multiqc_email_size : 0) as MemoryUnit def smail_fields = [email: email_address, subject: subject, email_txt: email_txt, email_html: email_html, projectDir: "${workflow.projectDir}", mqcFile: mqc_report, mqcMaxSize: max_multiqc_email_size.toBytes()] def sf = new File("${workflow.projectDir}/assets/sendmail_template.txt") def sendmail_template = engine.createTemplate(sf).make(smail_fields) @@ -351,14 +305,17 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi if (email_address) { try { if (plaintext_email) { -new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') } + new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') + } // Try to send HTML e-mail using sendmail def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") sendmail_tf.withWriter { w -> w << sendmail_html } ['sendmail', '-t'].execute() << sendmail_html log.info("-${colors.purple}[${workflow.manifest.name}]${colors.green} Sent summary e-mail to ${email_address} (sendmail)-") } - catch (Exception all) { + catch (Exception msg) { + log.debug(msg.toString()) + log.debug("Trying with mail instead of sendmail") // Catch failures and try with plaintext def mail_cmd = ['mail', '-s', subject, '--content-type=text/html', email_address] mail_cmd.execute() << email_html diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test index 1dc317f8..f117040c 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test @@ -41,26 +41,14 @@ nextflow_function { } } - test("Test Function workflowCitation") { - - function "workflowCitation" - - then { - assertAll( - { assert function.success }, - { assert snapshot(function.result).match() } - ) - } - } - - test("Test Function nfCoreLogo") { + test("Test Function without logColours") { - function "nfCoreLogo" + function "logColours" when { function { """ - input[0] = false + input[0] = true """ } } @@ -73,9 +61,8 @@ nextflow_function { } } - test("Test Function dashedLine") { - - function "dashedLine" + test("Test Function with logColours") { + function "logColours" when { function { @@ -93,14 +80,13 @@ nextflow_function { } } - test("Test Function without logColours") { - - function "logColours" + test("Test Function getSingleReport with a single file") { + function "getSingleReport" when { function { """ - input[0] = true + input[0] = file(params.modules_testdata_base_path + '/generic/tsv/test.tsv', checkIfExists: true) """ } } @@ -108,18 +94,22 @@ nextflow_function { then { assertAll( { assert function.success }, - { assert snapshot(function.result).match() } + { assert function.result.contains("test.tsv") } ) } } - test("Test Function with logColours") { - function "logColours" + test("Test Function getSingleReport with multiple files") { + function "getSingleReport" when { function { """ - input[0] = false + input[0] = [ + file(params.modules_testdata_base_path + '/generic/tsv/test.tsv', checkIfExists: true), + file(params.modules_testdata_base_path + '/generic/tsv/network.tsv', checkIfExists: true), + file(params.modules_testdata_base_path + '/generic/tsv/expression.tsv', checkIfExists: true) + ] """ } } @@ -127,7 +117,9 @@ nextflow_function { then { assertAll( { assert function.success }, - { assert snapshot(function.result).match() } + { assert function.result.contains("test.tsv") }, + { assert !function.result.contains("network.tsv") }, + { assert !function.result.contains("expression.tsv") } ) } } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap index 1037232c..02c67014 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap +++ b/subworkflows/nf-core/utils_nfcore_pipeline/tests/main.function.nf.test.snap @@ -17,26 +17,6 @@ }, "timestamp": "2024-02-28T12:02:59.729647" }, - "Test Function nfCoreLogo": { - "content": [ - "\n\n-\u001b[2m----------------------------------------------------\u001b[0m-\n \u001b[0;32m,--.\u001b[0;30m/\u001b[0;32m,-.\u001b[0m\n\u001b[0;34m ___ __ __ __ ___ \u001b[0;32m/,-._.--~'\u001b[0m\n\u001b[0;34m |\\ | |__ __ / ` / \\ |__) |__ \u001b[0;33m} {\u001b[0m\n\u001b[0;34m | \\| | \\__, \\__/ | \\ |___ \u001b[0;32m\\`-._,-`-,\u001b[0m\n \u001b[0;32m`._,._,'\u001b[0m\n\u001b[0;35m nextflow_workflow v9.9.9\u001b[0m\n-\u001b[2m----------------------------------------------------\u001b[0m-\n" - ], - "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" - }, - "timestamp": "2024-02-28T12:03:10.562934" - }, - "Test Function workflowCitation": { - "content": [ - "If you use nextflow_workflow for your analysis please cite:\n\n* The pipeline\n https://doi.org/10.5281/zenodo.5070524\n\n* The nf-core framework\n https://doi.org/10.1038/s41587-020-0439-x\n\n* Software dependencies\n https://github.com/nextflow_workflow/blob/master/CITATIONS.md" - ], - "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" - }, - "timestamp": "2024-02-28T12:03:07.019761" - }, "Test Function without logColours": { "content": [ { @@ -95,16 +75,6 @@ }, "timestamp": "2024-02-28T12:03:17.969323" }, - "Test Function dashedLine": { - "content": [ - "-\u001b[2m----------------------------------------------------\u001b[0m-" - ], - "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" - }, - "timestamp": "2024-02-28T12:03:14.366181" - }, "Test Function with logColours": { "content": [ { diff --git a/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test index 842dc432..8fb30164 100644 --- a/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test @@ -42,7 +42,7 @@ nextflow_workflow { params { test_data = '' - outdir = 1 + outdir = null } workflow { @@ -94,7 +94,7 @@ nextflow_workflow { params { test_data = '' - outdir = 1 + outdir = null } workflow { diff --git a/workflows/mag.nf b/workflows/mag.nf index ef031484..2734cf87 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -39,7 +39,7 @@ workflow MAG { softwareVersionsToYAML(ch_versions) .collectFile( storeDir: "${params.outdir}/pipeline_info", - name: 'nf_core_' + 'pipeline_software_' + 'mqc_' + 'versions.yml', + name: 'nf_core_' + 'mag_software_' + 'mqc_' + 'versions.yml', sort: true, newLine: true ).set { ch_collated_versions } From 6abdfae3ba693cd274ae96cca1c2b91791ce872c Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 12 Dec 2024 18:11:29 +0100 Subject: [PATCH 72/87] Add contributors >1000 deleteion or addition LoC --- nextflow.config | 70 +++++++++++++++++++++++++++++++++---------------- 1 file changed, 47 insertions(+), 23 deletions(-) diff --git a/nextflow.config b/nextflow.config index cc7faac3..c833ab64 100644 --- a/nextflow.config +++ b/nextflow.config @@ -383,43 +383,67 @@ manifest { // TODO nf-core: Update the field with the details of the contributors to your pipeline. New with Nextflow version 24.10.0 [ name: 'Hadrien Gourlé', - affiliation: '', + affiliation: 'Department of Animal Breeding and Genetics, Swedish University of Agricultural Sciences, Uppsala, Swden', email: '', - github: '', - contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') - orcid: '' + github: 'HadrienG', + contribution: ['author'], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '0000-0001-9807-1082 ' ], [ - name: ' Daniel Straub', - affiliation: '', + name: 'Daniel Straub', + affiliation: 'Quantitative Biology Center (QBiC), University of Tübingen, Tübingen, Germany', email: '', - github: '', - contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') - orcid: '' + github: 'd4straub', + contribution: ['author', 'maintainer'], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '0000-0002-2553-0660 ' ], [ - name: ' Sabrina Krakau', - affiliation: '', + name: 'Sabrina Krakau', + affiliation: 'Quantitative Biology Center (QBiC), University of Tübingen, Tübingen, Germany', email: '', - github: '', - contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') - orcid: '' + github: 'skrakau', + contribution: ['contributor'], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '0000-0003-0603-7907 ' ], [ - name: ' James A. Fellows Yates', - affiliation: '', + name: 'Antonia Schuster', + affiliation: 'Quantitative Biology Center (QBiC), University of Tübingen, Tübingen, Germany', email: '', - github: '', - contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') + github: 'AntoniaSchuster', + contribution: ['author'], // List of contribution types ('author', 'maintainer' or 'contributor') orcid: '' ], [ - name: ' Maxime Borry', - affiliation: '', + name: 'James A. Fellows Yates', + affiliation: 'Department of Archaeogenetics, Max Planck Institute for Evolutionary Anthropology, Leipzig, Germany', + email: 'jfy133@gmail.com', + github: 'jfy133', + contribution: ['maintainer'], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '0000-0001-5585-6277' + ], + [ + name: 'Maxime Borry', + affiliation: 'Department of Archaeogenetics, Max Planck Institute for Evolutionary Anthropology, Leipzig, Germany', email: '', - github: '', - contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor') - orcid: '' + github: 'maxibor', + contribution: ['contributor'], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '0000-0001-9140-7559' + ], + [ + name: 'Jim Downie', + affiliation: 'Wellcome Sanger Institute, Hinxton, UK', + email: '', + github: 'prototaxites', + contribution: ['contributor'], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '0000-0002-7175-0533' + ], + [ + name: 'Carson Miller', + affiliation: 'University of Washington, Seattle, USA', + email: '0000-0002-7175-0533', + github: 'prototaxites', + contribution: ['contributor'], // List of contribution types ('author', 'maintainer' or 'contributor') + orcid: '0000-0001-9861-4884' ], ] homePage = 'https://github.com/nf-core/mag' From 6abebf47331484e2ab9474ad394b97e7329a181e Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 12 Dec 2024 18:13:15 +0100 Subject: [PATCH 73/87] Apply suggestions from code review --- conf/modules.config | 2 -- 1 file changed, 2 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 1fae4a5d..782aeeda 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -22,7 +22,6 @@ process { tag = { "${meta.id}_run${meta.run}_raw" } } - withName: FASTP { ext.args = [ "-q ${params.fastp_qualified_quality}", @@ -686,7 +685,6 @@ process { ext.prefix = { "${meta.id}" } publishDir = [path: { "${params.outdir}/Annotation/MetaEuk/${meta.assembler}/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - withName: 'MULTIQC' { ext.args = { params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' } publishDir = [ From a2afa5e1ff755166cc1bf73ecf2612e8b22d5b17 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Fri, 13 Dec 2024 12:09:17 -0300 Subject: [PATCH 74/87] Update tests to integrate CheckM and CheckM2 --- conf/test_adapterremoval.config | 2 +- conf/test_bbnorm.config | 3 +-- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/conf/test_adapterremoval.config b/conf/test_adapterremoval.config index 63f04cf6..fc433a8b 100644 --- a/conf/test_adapterremoval.config +++ b/conf/test_adapterremoval.config @@ -31,7 +31,7 @@ params { skip_krona = true min_length_unbinned_contigs = 1 max_unbinned_contigs = 2 - busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" + binqc_tool = 'checkm' skip_gtdbtk = true gtdbtk_min_completeness = 0.01 clip_tool = 'adapterremoval' diff --git a/conf/test_bbnorm.config b/conf/test_bbnorm.config index 223f99a3..a434f584 100644 --- a/conf/test_bbnorm.config +++ b/conf/test_bbnorm.config @@ -36,8 +36,7 @@ params { skip_krona = true min_length_unbinned_contigs = 1 max_unbinned_contigs = 2 - busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" - busco_clean = true + binqc_tool = 'checkm2' skip_gtdbtk = true gtdbtk_min_completeness = 0.01 bbnorm = true From 61c23fe8914503acabf537bef3682f5b84dc7bc0 Mon Sep 17 00:00:00 2001 From: "Diego Alvarez S." Date: Fri, 13 Dec 2024 13:23:34 -0300 Subject: [PATCH 75/87] Fix for when checkm is not run for some bins --- bin/combine_tables.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/bin/combine_tables.py b/bin/combine_tables.py index e287676a..2b8d3767 100755 --- a/bin/combine_tables.py +++ b/bin/combine_tables.py @@ -138,7 +138,7 @@ def main(args=None): ] checkm_results = pd.read_csv(args.binqc_summary, usecols=use_columns, sep="\t") checkm_results["Bin Id"] = checkm_results["Bin Id"] + ".fa" - if not bins.equals(checkm_results["Bin Id"].sort_values().reset_index(drop=True)): + if not set(checkm_results["Bin Id"]).issubset(set(bins)): sys.exit("Bins in CheckM summary do not match bins in bin depths summary!") results = pd.merge( results, checkm_results, left_on="bin", right_on="Bin Id", how="outer" From b0475ff1bf398efa736a11d43af0e96a34b2788d Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Sat, 14 Dec 2024 08:47:33 +0100 Subject: [PATCH 76/87] Re-add modules config loading --- nextflow.config | 3 +++ 1 file changed, 3 insertions(+) diff --git a/nextflow.config b/nextflow.config index c833ab64..a05e5fa4 100644 --- a/nextflow.config +++ b/nextflow.config @@ -491,3 +491,6 @@ validation { afterText = validation.help.afterText } } + +// Load modules.config for DSL2 module specific options +includeConfig 'conf/modules.config' From 72a10372fe1e6daf70287a97298896b14b08b8ea Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Sat, 14 Dec 2024 08:50:05 +0100 Subject: [PATCH 77/87] Fix linting --- subworkflows/local/utils_nfcore_mag_pipeline/main.nf | 1 - 1 file changed, 1 deletion(-) diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index f23cf2d7..982fdb89 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -176,7 +176,6 @@ workflow PIPELINE_COMPLETION { main: summary_params = paramsSummaryMap(workflow, parameters_schema: "nextflow_schema.json") def multiqc_reports = multiqc_report.toList() - // // Completion email and summary // From 4a282ec3f677403f509179510a081f8e92f402a0 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Sat, 14 Dec 2024 08:51:32 +0100 Subject: [PATCH 78/87] Update CHANGELOG.md --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 24ab3868..2f7c80fd 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -13,6 +13,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` +- [#731](https://github.com/nf-core/mag/pull/731) - Updated to nf-core 3.1.0 `TEMPLATE` (by @jfy133) + ### `Fixed` - [#716](https://github.com/nf-core/mag/pull/692) - Make short read processing a subworkflow (added by @muabnezor) From dfa5c49318755f0cb36a4c12f293b1e0e5f36e91 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 16 Dec 2024 10:31:11 +0100 Subject: [PATCH 79/87] Add support for prokka compliance mode --- CHANGELOG.md | 1 + conf/modules.config | 23 +++++++++++-------- conf/test_full.config | 4 ++++ nextflow.config | 2 ++ nextflow_schema.json | 19 +++++++++++---- .../local/utils_nfcore_mag_pipeline/main.nf | 7 +++++- 6 files changed, 40 insertions(+), 16 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6949773e..30c9ddf1 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,6 +12,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#707](https://github.com/nf-core/mag/pull/707) - Make Bin QC a subworkflow (added by @dialvarezs) - [#707](https://github.com/nf-core/mag/pull/707) - Added CheckM2 as an alternative bin completeness and QC tool (added by @dialvarezs) - [#708](https://github.com/nf-core/mag/pull/708) - Added `--exclude_unbins_from_postbinning` parameter to exclude unbinned contigs from post-binning processes, speeding up Prokka in some cases (added by @dialvarezs) +- [#732](https://github.com/nf-core/mag/pull/732) - Added support for Prokka's compliance mode with `--prokka_with_compliance --prokka_compliance_centre ` (reported by @audy and @Thomieh73, added by @jfy133) ### `Changed` diff --git a/conf/modules.config b/conf/modules.config index bcad2756..25a2b725 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -184,7 +184,7 @@ process { "--keep_percent ${params.longreads_keep_percent}", "--trim", "--length_weight ${params.longreads_length_weight}", - params.longreads_min_quality ? "--min_mean_q ${params.longreads_min_quality}" : '', + params.longreads_min_quality ? "--min_mean_q ${params.longreads_min_quality}" : '' ].join(' ').trim() publishDir = [ path: { "${params.outdir}/QC_longreads/Filtlong" }, @@ -196,9 +196,9 @@ process { } withName: NANOQ { - ext.args = [ + ext.args = [ "--min-len ${params.longreads_min_length}", - params.longreads_min_quality ? "--min-qual ${params.longreads_min_quality}": '', + params.longreads_min_quality ? "--min-qual ${params.longreads_min_quality}" : '', "-vv" ].join(' ').trim() publishDir = [ @@ -221,11 +221,13 @@ process { publishDir = [ [ path: { "${params.outdir}/QC_longreads/NanoLyse" }, - mode: params.publish_dir_mode, pattern: "*.log" + mode: params.publish_dir_mode, + pattern: "*.log" ], [ path: { "${params.outdir}/QC_longreads/NanoLyse" }, - mode: params.publish_dir_mode, pattern: "*_nanolyse.fastq.gz", + mode: params.publish_dir_mode, + pattern: "*_nanolyse.fastq.gz", enabled: params.save_lambdaremoved_reads ] ] @@ -234,8 +236,8 @@ process { withName: CHOPPER { ext.args2 = [ - params.longreads_min_quality ? "--quality ${params.longreads_min_quality}": '', - params.longreads_min_length ? "--minlength ${params.longreads_min_length}": '' + params.longreads_min_quality ? "--quality ${params.longreads_min_quality}" : '', + params.longreads_min_length ? "--minlength ${params.longreads_min_length}" : '' ].join(' ').trim() publishDir = [ [ @@ -250,7 +252,7 @@ process { enabled: params.save_lambdaremoved_reads || params.save_filtered_longreads ] ] - ext.prefix = { "${meta.id}_run${meta.run}_chopper" } + ext.prefix = { "${meta.id}_run${meta.run}_chopper" } } withName: NANOPLOT_RAW { @@ -434,7 +436,8 @@ process { withName: CHECKM2_DATABASEDOWNLOAD { publishDir = [ path: { "${params.outdir}/GenomeBinning/QC/CheckM2/checkm2_downloads" }, - mode: params.publish_dir_mode, overwrite: false, + mode: params.publish_dir_mode, + overwrite: false, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.save_checkm2_data ] @@ -509,7 +512,7 @@ process { } withName: PROKKA { - ext.args = "--metagenome" + ext.args = { params.prokka_with_compliance ? "--metagenome --compliant --centre ${params.prokka_compliance_centre}" : "--metagenome" } publishDir = [path: { "${params.outdir}/Annotation/Prokka/${meta.assembler}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } diff --git a/conf/test_full.config b/conf/test_full.config index ed5923d0..f1b92f48 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -42,4 +42,8 @@ params { // Skip CONCOCT due to timeout issues skip_concoct = true + + // Set Prokka compliance mode to allow metaSPAdes bins to be annotated + prokka_with_compliance = true + prokka_compliance_centres = "nfcore" } diff --git a/nextflow.config b/nextflow.config index cdb2d9f0..7215cd7a 100644 --- a/nextflow.config +++ b/nextflow.config @@ -53,6 +53,8 @@ params { min_length_unbinned_contigs = 1000000 max_unbinned_contigs = 100 skip_prokka = false + prokka_with_compliance = false + prokka_compliance_centre = null // assembly options coassemble_group = false diff --git a/nextflow_schema.json b/nextflow_schema.json index dedb286b..200d0c46 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -503,7 +503,7 @@ }, "gtdbtk_min_completeness": { "type": "number", - "default": 50.0, + "default": 50, "description": "Min. bin completeness (in %) required to apply GTDB-tk classification.", "help_text": "Completeness assessed with BUSCO analysis (100% - %Missing). Must be greater than 0 (min. 0.01) to avoid GTDB-tk errors. If too low, GTDB-tk classification results can be impaired due to not enough marker genes!", "minimum": 0.01, @@ -511,7 +511,7 @@ }, "gtdbtk_max_contamination": { "type": "number", - "default": 10.0, + "default": 10, "description": "Max. bin contamination (in %) allowed to apply GTDB-tk classification.", "help_text": "Contamination approximated based on BUSCO analysis (%Complete and duplicated). If too high, GTDB-tk classification results can be impaired due to contamination!", "minimum": 0, @@ -519,7 +519,7 @@ }, "gtdbtk_min_perc_aa": { "type": "number", - "default": 10.0, + "default": 10, "description": "Min. fraction of AA (in %) in the MSA for bins to be kept.", "minimum": 0, "maximum": 100 @@ -597,6 +597,16 @@ "type": "boolean", "description": "Skip Prodigal gene prediction" }, + "prokka_with_compliance": { + "type": "boolean", + "help_text": "Sometimes Prokka will complain that your contig names are too long and fail.\n\nThis particularly happens with metaSPAdes assemblies.\n\nYou can turn on this flag which will tell Prokka to truncate the contig names for you.\nHowever this also requires you to specify a sequencing centre name (specified with `--prokka_compliance_centre`).\n\n:::warning\nTruncating contig names may make it harder to associated contig annotations with their original contigs!\n:::\n", + "description": "Turn on Prokka complicance mode for truncating contig names for NCBI/ENA compatibility." + }, + "prokka_compliance_centre": { + "type": "string", + "help_text": "Specify the sequencing centre name for making NCBI Genbank/ENA compatible annotation files (required when specifying `--prokka_with_compliance`).", + "description": "Specify sequencing centre name required for Prokka's compliance mode." + }, "skip_prokka": { "type": "boolean", "description": "Skip Prokka genome annotation." @@ -718,8 +728,7 @@ "exclude_unbins_from_postbinning": { "type": "boolean", "description": "Exclude unbinned contigs in the post-binning steps (bin QC, taxonomic classification, and annotation steps).", - "help": "If you're not interested in assemby results that are not considered 'genome level', excluding unbinned contigs can greatly speed up downstream steps such as Prokka, that can be quite slow and spin up many tasks.", - "default": false + "help": "If you're not interested in assemby results that are not considered 'genome level', excluding unbinned contigs can greatly speed up downstream steps such as Prokka, that can be quite slow and spin up many tasks." } } }, diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index 3e3aa9e9..a3de55e9 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -309,13 +309,18 @@ def validateInputParameters(hybrid) { error('[nf-core/mag] ERROR: Invalid parameter combination: parameter --save_cat_db specified, but not --cat_db_generate! Note also that the parameter --save_cat_db does not work in combination with --cat_db.') } - // Chech MetaEuk db paramaters + // Check MetaEuk db paramaters if (params.metaeuk_mmseqs_db && params.metaeuk_db) { error('[nf-core/mag] ERROR: Invalid parameter combination: both --metaeuk_mmseqs_db and --metaeuk_db are specified! Please specify either --metaeuk_mmseqs_db or --metaeuk_db.') } if (params.save_mmseqs_db && !params.metaeuk_mmseqs_db) { error('[nf-core/mag] ERROR: Invalid parameter combination: --save_mmseqs_db supplied but no database has been requested for download with --metaeuk_mmseqs_db!') } + + // Check Prokka parameters + if (params.prokka_with_compliance && !params.prokka_compliance_centre) { + error('[nf-core/mag] ERROR: Invalid parameter combination: running PROKKA with compliance mode requires a centre name specified with `--prokka_compliance_centre `!') + } } // From 5162787a57d0acc54c066b3344c71bd79dfca812 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 16 Dec 2024 12:00:59 +0100 Subject: [PATCH 80/87] Update conf/modules.config --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 782aeeda..757c29ed 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -685,7 +685,7 @@ process { ext.prefix = { "${meta.id}" } publishDir = [path: { "${params.outdir}/Annotation/MetaEuk/${meta.assembler}/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - withName: 'MULTIQC' { + withName: MULTIQC { ext.args = { params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' } publishDir = [ path: { "${params.outdir}/multiqc" }, From a8b805efe2c28f0370ca598cb6c3fb0efaf95ba5 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 16 Dec 2024 12:54:55 +0100 Subject: [PATCH 81/87] Bump version, update workflow diagram, export 300dpi logos --- .nf-core.yml | 13 +- CHANGELOG.md | 2 +- assets/multiqc_config.yml | 229 ++++---- docs/images/mag_logo_mascot_dark.png | Bin 51869 -> 186232 bytes docs/images/mag_logo_mascot_dark.svg | 8 +- docs/images/mag_logo_mascot_light.png | Bin 53150 -> 190446 bytes docs/images/mag_logo_mascot_light.svg | 10 +- docs/images/mag_workflow.png | Bin 669902 -> 717225 bytes docs/images/mag_workflow.svg | 810 ++++++++++++++------------ docs/images/mag_workflow_dark.png | Bin 579704 -> 620593 bytes docs/images/mag_workflow_dark.svg | 730 +++++++++++++---------- nextflow.config | 2 +- ro-crate-metadata.json | 105 +++- 13 files changed, 1098 insertions(+), 811 deletions(-) diff --git a/.nf-core.yml b/.nf-core.yml index d65e6222..ca5dda2b 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -1,18 +1,19 @@ lint: files_unchanged: - - lib/NfcoreTemplate.groovy + - lib/NfcoreTemplate.groovy nextflow_config: - - config_defaults: - - params.phix_reference - - params.lambda_reference + - config_defaults: + - params.phix_reference + - params.lambda_reference nf_core_version: 3.1.0 repository_type: pipeline template: - author: "Hadrien Gourlé, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, Maxime Borry" + author: "Hadrien Gourlé, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, + Maxime Borry" description: Assembly, binning and annotation of metagenomes force: false is_nfcore: true name: mag org: nf-core outdir: . - version: 3.3.0dev + version: 3.3.0 diff --git a/CHANGELOG.md b/CHANGELOG.md index 9dc7d789..6b942ef6 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## dev [unreleased] +## 3.3.0 [2024-12-16] ### `Added` diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index fe8d388f..fbd25dde 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,7 +1,8 @@ report_comment: > - This report has been generated by the nf-core/mag - analysis pipeline. For information about how to interpret these results, please see the - documentation. + This report has been generated by the nf-core/mag analysis pipeline. For information about how to + interpret these results, please see the documentation. report_section_order: "nf-core-mag-methods-description": order: -1000 @@ -16,86 +17,98 @@ disable_version_detection: true data_format: "yaml" run_modules: - - fastqc - - fastp - - adapterRemoval - - custom_content - - bowtie2 - - busco - - quast - - kraken - - prokka - - porechop - - filtlong +- fastqc +- fastp +- adapterRemoval +- custom_content +- bowtie2 +- busco +- quast +- kraken +- prokka +- porechop +- filtlong ## Module order top_modules: - - "fastqc": - name: "FastQC: raw reads" - path_filters_exclude: - - "*trimmed*" - - "fastp" - - "adapterRemoval" - - "porechop" - - "filtlong" - - "fastqc": - name: "FastQC: after preprocessing" - info: "After trimming and, if requested, contamination removal." - path_filters: - - "*trimmed*" - - "bowtie2": - name: "Bowtie2: PhiX removal" - info: "Mapping statistics of reads mapped against PhiX and subsequently removed." - path_filters: - - "*_phix_removed.bowtie2.log" - - "bowtie2": - name: "Bowtie2: host removal" - info: "Mapping statistics of reads mapped against host genome and subsequently removed." - path_filters: - - "*_host_removed.bowtie2.log" - - "kraken": - name: "Kraken2" - anchor: "Kraken2" - target: "Kraken2" - doi: "10.1101/gr.210641.116" - path_filters: - - "*.kraken2_report.txt" - - "kraken": - name: "Centrifuge" - anchor: "centrifuge" - target: "Centrifuge" - doi: "10.1101/gr.210641.116" - info: "is a very rapid and memory-efficient system for the classification of DNA sequences from microbial samples. The system uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index. Note: Figure title" - extra: "ℹ️: plot title will say Kraken2 due to Centrifuge producing the same output format as Kraken. If activated, see the actual Kraken2 results in the section above." - path_filters: - - "*.centrifuge_kreport.txt" - - "quast": - name: "QUAST: assembly" - info: "Assembly statistics of raw assemblies." - path_filters: - - "*rawassemblies.tsv" - - "bowtie2": - name: "Bowtie2: assembly" - info: "Mapping statistics of reads mapped against assemblies." - path_filters_exclude: - - "*_host_removed.bowtie2.log" - - "*_phix_removed.bowtie2.log" - - "bcftools" - - custom_content - - "quast": - name: "QUAST: bins" - info: "Assembly statistics of binned assemblies." - path_filters_exclude: - - "*rawassemblies.tsv" - - "busco": - info: "assesses genome assembly and annotation completeness with Benchmarking Universal Single-Copy Orthologs. In case BUSCO's automated lineage selection was used, only generic results for the selected domain are shown and only for genome bins and kept, unbinned contigs for which the BUSCO analysis was successfull, i.e. not for contigs for which no BUSCO genes could be found. Bins for which a specific virus lineage was selected are also not shown." - - "prokka" +- "fastqc": + name: "FastQC: raw reads" + path_filters_exclude: + - "*trimmed*" +- "fastp" +- "adapterRemoval" +- "porechop" +- "filtlong" +- "fastqc": + name: "FastQC: after preprocessing" + info: "After trimming and, if requested, contamination removal." + path_filters: + - "*trimmed*" +- "bowtie2": + name: "Bowtie2: PhiX removal" + info: "Mapping statistics of reads mapped against PhiX and subsequently removed." + path_filters: + - "*_phix_removed.bowtie2.log" +- "bowtie2": + name: "Bowtie2: host removal" + info: "Mapping statistics of reads mapped against host genome and subsequently + removed." + path_filters: + - "*_host_removed.bowtie2.log" +- "kraken": + name: "Kraken2" + anchor: "Kraken2" + target: "Kraken2" + doi: "10.1101/gr.210641.116" + path_filters: + - "*.kraken2_report.txt" +- "kraken": + name: "Centrifuge" + anchor: "centrifuge" + target: "Centrifuge" + doi: "10.1101/gr.210641.116" + info: "is a very rapid and memory-efficient system for the classification of DNA + sequences from microbial samples. The system uses a novel indexing scheme based + on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index. + Note: Figure title" + extra: "ℹ️: plot title will say Kraken2 due to Centrifuge producing the same output + format as Kraken. If activated, see the actual Kraken2 results in the section + above." + path_filters: + - "*.centrifuge_kreport.txt" +- "quast": + name: "QUAST: assembly" + info: "Assembly statistics of raw assemblies." + path_filters: + - "*rawassemblies.tsv" +- "bowtie2": + name: "Bowtie2: assembly" + info: "Mapping statistics of reads mapped against assemblies." + path_filters_exclude: + - "*_host_removed.bowtie2.log" + - "*_phix_removed.bowtie2.log" +- "bcftools" +- custom_content +- "quast": + name: "QUAST: bins" + info: "Assembly statistics of binned assemblies." + path_filters_exclude: + - "*rawassemblies.tsv" +- "busco": + info: "assesses genome assembly and annotation completeness with Benchmarking + Universal Single-Copy Orthologs. In case BUSCO's automated lineage selection + was used, only generic results for the selected domain are shown and only for + genome bins and kept, unbinned contigs for which the BUSCO analysis was successfull, + i.e. not for contigs for which no BUSCO genes could be found. Bins for which + a specific virus lineage was selected are also not shown." +- "prokka" custom_data: host_removal: file_format: "tsv" section_name: "Bowtie 2: host read removal" - description: "Reads are mapped against the host reference sequence. Only reads that do not align (concordantly) are kept for further analysis." + description: "Reads are mapped against the host reference sequence. Only reads + that do not align (concordantly) are kept for further analysis." plot_type: "bargraph" pconfig: id: "host_removal_bargraph" @@ -118,12 +131,12 @@ sp: ## File name cleaning extra_fn_clean_exts: - - ".bowtie2" - - "_ar2" - - "host_removed" - - "phix_removed" - - "centrifuge_kreport" - - "_fastp" +- ".bowtie2" +- "_ar2" +- "host_removed" +- "phix_removed" +- "centrifuge_kreport" +- "_fastp" ## Prettification custom_logo: "mag_logo_mascot_light.png" @@ -131,40 +144,40 @@ custom_logo_url: https://github.com/nf-core/mag/ custom_logo_title: "nf-core/mag" ## Tool specific configuration -prokka_fn_snames: True +prokka_fn_snames: true ## General Stats customisation table_columns_visible: "FastQC: raw reads": - avg_sequence_length: True + avg_sequence_length: true "FastQC: after preprocessing": - avg_sequence_length: True + avg_sequence_length: true "fastp": - pct_duplication: False - after_filtering_q30_rate: False - after_filtering_q30_bases: False + pct_duplication: false + after_filtering_q30_rate: false + after_filtering_q30_bases: false filtering_result_passed_filter_reads: 3300 - after_filtering_gc_content: False - pct_surviving: True - pct_adapter: True - "Kraken2": False - "Centrifuge": False + after_filtering_gc_content: false + pct_surviving: true + pct_adapter: true + "Kraken2": false + "Centrifuge": false "QUAST: assembly": - N75: True - L50: True - L75: True - "Largest contig": True - "Total length": True - N50: True - "Bowtie2: assembly": False + N75: true + L50: true + L75: true + "Largest contig": true + "Total length": true + N50: true + "Bowtie2: assembly": false "QUAST: bins": - N75: True - L50: True - L75: True - "Largest contig": True - "Total length": True - N50: True - "Prokka": False + N75: true + L50: true + L75: true + "Largest contig": true + "Total length": true + N50: true + "Prokka": false table_columns_placement: "FastQC: raw reads": @@ -244,6 +257,6 @@ table_columns_name: custom_table_header_config: general_stats_table: 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