From 4005b5516da7b56e66940f77dc659045156cd0f8 Mon Sep 17 00:00:00 2001 From: Ricardo Ramirez Date: Sat, 6 Jul 2024 18:47:00 -0400 Subject: [PATCH] Update metadata.yaml Delete comments --- mdakits/lipidorderkit/metadata.yaml | 85 +++++++---------------------- 1 file changed, 19 insertions(+), 66 deletions(-) diff --git a/mdakits/lipidorderkit/metadata.yaml b/mdakits/lipidorderkit/metadata.yaml index 91a695ea..f73c12df 100644 --- a/mdakits/lipidorderkit/metadata.yaml +++ b/mdakits/lipidorderkit/metadata.yaml @@ -1,38 +1,19 @@ -# TEMPLATE MDAKit file -# -------------------- -# -# Please replace ALL entries with appropriate content for YOUR MDAKit. -# Below we use the placeholder GH_HOST_ACCOUNT for the GitHub account where -# the source code repository is held, typically your username or the -# organization that you're part off. -# MYPROJECT is the name of your project (the repository name and here -# we assume that this is also the PyPi/conda package name) whereas -# MYPACKAGE is how you import it in python. -# -# See https://mdakits.mdanalysis.org/add.html for more information. -# -#------------------------------------------------------------ -# Required entries -#------------------------------------------------------------ -## str: name of the project (the respository name) project_name: lipidorderkit -## List(str): a link to the authors file (preferred) or a list of authors + authors: - https://github.com/ricard1997/lipidorderkit/blob/main/AUTHORS.md -## List(str): a list of maintainers -## Please note these _must_ be GitHub handles -## The maintainers will be tagged in issues if their MDAKit is failing. + maintainers: - ricard1997 -## str: a free form description of the mdakit + description: This MDAKit allow for the calculation of lipid order parameters for all atom molecular dynamics simulations. -## List(str): a list of keywords which describe the mdakit + keywords: - Lipids - Lipids order parameters @@ -40,84 +21,56 @@ keywords: - Lipid metrics - Lipid study -## str: the license the mdakit falls under -## See https://spdx.org/licenses/ for valid license specifiers + license: GPL-2.0-or-later -## str: the link to the project's code -## Please note that this is not limited to GitHub! Can be Gitlab, etc.. + project_home: https://github.com/ricard1997/lipidorderkit/ -## str: the link to the project's documentation + documentation_home: https://lipidorderdocs.readthedocs.io/en/latest/ -## str: the type of documentation available [UserGuide, API, README] + documentation_type: UserGuide + API -#------------------------------------------------------------ -# Optional entries -#------------------------------------------------------------ -## List(str): a list of commands to use when installing the latest -## release of the code. Note: only one installation method can currently -## be defined. We suggest using mamba where possible (e.g. -## mamba -c conda-forge install MYPROJECT -## for a conda package installation). -## Here we use a simple PyPi installation: + install: - pip install git+https://github.com/ricard1997/lipidorderkit@main -## List(str): a list of commands to use when installing the mdakit from its -## source code. + src_install: - git clone https://github.com/ricard1997/lipidorderkit.git - cd lipidorderkit && pip install . && cd .. -## str: the package name used to import the mdakit import_name: lipidorder -## str: a specification for the range of Python versions supported by this MDAKit + python_requires: ">=3.10" -## str: a specification for the range of MDAnalysis versions supported by this MDAKit + mdanalysis_requires: ">=2.0.0" -## List(str): a list of commands to use when attempting to run the MDAKit's tests -## If you package your tests inside your package then you can typically use the -## pytest --pyargs MYPACKAGE -## command as shown below. -## Otherwise you need to include commands to make the tests available. -## For example, if the tests are in the repository at the top level under `./tests`: -## First use `git clone latest` to either clone the top commit for "development code" checks or check out -## the latest tag for "latest release" checks. Then then run pytest: -## - git clone latest -## - pytest -v ./tests -## Feel free to ask for advice on your pull request! + run_tests: - pytest --pyargs lipidorder -## List(str): a list of commands to use to install the necessary dependencies required -## to run the MDAKit's tests. -## The default below _might_ be sufficient or you might not even need MDAnalysisTests: -## make sure that it is appropriate for how you run tests. + test_dependencies: - mamba install pytest MDAnalysisTests -## str: the organisation name the MDAKit falls under + project_org: ricard1997 -## str: the development status of the MDAKit -## See https://pypi.org/classifiers/ for development status classifiers. + development_status: Production/Stable -## List(str) a list of publications to cite when using the MDAKit -## Links to scientific publications or stable URLs (typically of the form -## https://doi.org/ or to a preprint server) + publications: - https://doi.org/10.3389/fchem.2022.1088058 -## str: a link to the MDAKit's community (mailing list, github discussions, etc...) + community_home: -## str: a link to the MDAKit's changelog + changelog: https://github.com/ricard1997/lipidorderkit/blob/main/CHANGELOG.md