-
Notifications
You must be signed in to change notification settings - Fork 3
/
Copy pathpyproject.toml
77 lines (71 loc) · 2.1 KB
/
pyproject.toml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
[tool.poetry]
name = "springcraft"
version = "0.3.0"
description = "Investigate molecular dynamics with elastic network models"
readme = "README.rst"
license = "BSD-3-Clause"
authors = [
"Patrick Kunzmann <[email protected]>",
"Jan Krumbach <[email protected]>",
"Faisal Islam <[email protected]>"
]
homepage = "https://springcraft.biotite-python.org"
repository = "https://github.com/biotite-dev/springcraft"
documentation = "https://springcraft.biotite-python.org"
keywords = [
"Bioinformatics",
"Computational biology",
"Elastic network models",
"Normal mode analysis"
]
classifiers = [
"Development Status :: 4 - Beta",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: BSD License",
"Natural Language :: English",
"Operating System :: POSIX :: Linux",
"Operating System :: MacOS",
"Operating System :: Microsoft :: Windows",
"Programming Language :: Python :: 3",
"Topic :: Scientific/Engineering :: Bio-Informatics",
]
packages = [
{ include = "springcraft", from = "src" },
]
[tool.poetry.dependencies]
python = ">=3.10"
biotite = ">= 0.32"
numpy = ">= 1.25"
[tool.poetry.dev-dependencies]
biotite = ">= 1.0"
pytest = "^5.2"
sphinx = "^3.0"
sphinx-gallery = "0.9.0"
numpy = ">= 2.0"
numpydoc = ">= 0.8"
ammolite = ">=0.8"
ruff = ">=0.6.7"
[build-system]
requires = ["poetry_core>=1.0.0"]
build-backend = "poetry.core.masonry.api"
[tool.ruff.lint]
# pyflakes, pycodestyle isort and variable naming
select = ["F", "E", "W", "I", "TID", "N"]
ignore = [
# In docstrings long lines are often intentional
# Most other ocassions are caught by the ruff formatter
"E501",
# camel cases for forcefields
"N802",
# eANM/sdENM as static methods of TabulatedForceField
# should not accept "self" as argument by design
"N805",
# Due to constants used in functions
"N806",
]
[tool.ruff.lint.per-file-ignores]
# Due to `from .module import *` imports in `__init__.py` modules
"__init__.py" = ["F403", "TID252"]
[tool.pytest.ini_options]
# Pytest: Ignore Python scripts for reference data creation
addopts = "--ignore=tests/data"