pywindow/pyproject.toml at master · marcinmiklitz/pywindow · GitHub

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[build-system]
requires = ["setuptools", "setuptools_scm"]
build-backend = "setuptools.build_meta"

[project]
name = "pywindowx"
maintainers = [
    { name = "Marcin Miklitz", email = "marcin.miklitz@gmail.com" },
    { name = "Andrew Tarzia", email = "andrew.tarzia@gmail.com" },
]

dependencies = ["numpy", "scipy", "scikit-learn", "rdkit", "matplotlib"]
requires-python = ">=3.9"
dynamic = ["version"]
readme = "README.rst"
description = " A Python package for structural analysis of porous molecules."

[project.optional-dependencies]
dev = [
    "ruff",
    "mypy",
    "pip-tools",
    # TODO: Remove pin when https://github.com/TvoroG/pytest-lazy-fixture/issues/65 is resolved.
    # pytest-lazy-fixture 0.6.0 is incompatible with pytest 8.0.0
    "pytest<8",
    "pytest-datadir",
    "pytest-lazy-fixture",
    "pytest-cov",
    "sphinx",
    "sphinx-copybutton",
    "twine",
    "sphinx_rtd_theme",
    "furo",
    "moldoc",
]

[project.urls]
github = "https://github.com/marcinmiklitz/pywindow"
documentation = "https://pywindow.readthedocs.io"


[tool.setuptools_scm]
[tool.ruff]
line-length = 79

[tool.ruff.lint]
select = ["ALL"]
ignore = ["COM812", "ISC001", "A005"]

[tool.ruff.lint.pydocstyle]
convention = "google"

[tool.ruff.lint.per-file-ignores]
"tests/*" = [
    "D100",
    "E501",
    "D101",
    "D102",
    "D103",
    "D104",
    "D105",
    "D106",
    "D107",
    "S101",
    "INP001",
]
"examples/*" = ["T201", "E501", "PTH123", "PLR2004", "PERF402", "ERA001"]
"docs/source/conf.py" = ["D100", "INP001"]

[tool.pytest.ini_options]
addopts = "--cov=src --cov-report term-missing"

[tool.mypy]
show_error_codes = true
implicit_optional = false
warn_no_return = true
strict_optional = true
disallow_untyped_defs = true
disallow_incomplete_defs = true
check_untyped_defs = true
disallow_untyped_decorators = true
warn_unreachable = true
disallow_any_generics = true

[[tool.mypy.overrides]]
module = ["rdkit.*", "scipy.*", "sklearn.*"]
ignore_missing_imports = true