/
pyproject.toml
153 lines (139 loc) · 4.25 KB
/
pyproject.toml
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[build-system]
requires = [
"Cython>=0.29.23",
# pin NumPy version used in the build
"oldest-supported-numpy",
"setuptools>=65.0.0",
]
build-backend = "setuptools.build_meta"
[tool.versioningit.vcs]
method = "git"
default-tag = "0.0.1"
[tool.cibuildwheel.linux]
archs = ["auto64"]
skip = ["*musllinux*"]
before-all = "ln -s /usr/lib64/libgfortran.so.5 /usr/lib64/libgfortran.so.3"
[tool.cibuildwheel.macos]
repair-wheel-command = "delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel} --ignore-missing-dependencies"
[tool.ruff]
target-version = "py39"
line-length = 120
[tool.ruff.lint]
select = [
"B", # flake8-bugbear
"C4", # flake8-comprehensions
"D", # pydocstyle
"E", # pycodestyle error
"EXE", # flake8-executable
"F", # pyflakes
"FA", # flake8-future-annotations
"FBT003", # boolean-positional-value-in-call
"FLY", # flynt
"I", # isort
"ICN", # flake8-import-conventions
"ISC", # flake8-implicit-str-concat
"PD", # pandas-vet
"PERF", # perflint
"PIE", # flake8-pie
"PL", # pylint
"PLR0402",
"PLR1714",
"PLR5501",
"PT", # flake8-pytest-style
"PYI", # flakes8-pyi
"Q", # flake8-quotes
"RET", # flake8-return
"RSE", # flake8-raise
"RUF", # Ruff-specific rules
"SIM", # flake8-simplify
"SLOT", # flake8-slots
"TCH", # flake8-type-checking
"TID", # flake8-tidy-imports
"UP", # pyupgrade
"W", # pycodestyle warning
"YTT", # flake8-2020
]
ignore = [
"B023", # Function definition does not bind loop variable
"B028", # No explicit stacklevel keyword argument found
"B904", # Within an except clause, raise exceptions with ...
"C408", # unnecessary-collection-call
"D105", # Missing docstring in magic method
"D205", # 1 blank line required between summary line and description
"D212", # Multi-line docstring summary should start at the first line
"PD901", # pandas-df-variable-name
"PERF203", # try-except-in-loop
"PERF401", # manual-list-comprehension (TODO fix these or wait for autofix)
"PLR", # pylint refactor
"PLW2901", # Outer for loop variable overwritten by inner assignment target
"PT013", # pytest-incorrect-pytest-import
"PTH", # prefer pathlib to os.path
"SIM105", # Use contextlib.suppress() instead of try-except-pass
]
pydocstyle.convention = "google"
isort.required-imports = ["from __future__ import annotations"]
isort.split-on-trailing-comma = false
[tool.ruff.format]
docstring-code-format = true
[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"]
"tests/**" = ["ANN201", "D", "S101"]
"tasks.py" = ["D"]
"pymatgen/analysis/*" = ["D"]
"pymatgen/vis/*" = ["D"]
"pymatgen/io/*" = ["D"]
"dev_scripts/*" = ["D"]
[tool.pytest.ini_options]
addopts = "--durations=30 --quiet -r xXs --color=yes -p no:warnings --import-mode=importlib"
[tool.coverage.run]
parallel = true
omit = [
"pymatgen/cli/feff_plot_cross_section.py",
"pymatgen/cli/feff_plot_dos.py",
"pymatgen/cli/pmg_config.py",
"pymatgen/cli/pmg_plot.py",
"pymatgen/cli/pmg_potcar.py",
"pymatgen/cli/pmg_query.py",
"pymatgen/dao.py",
]
[tool.coverage.report]
exclude_also = [
"@deprecated",
"@np.deprecate",
"def __repr__",
"except ImportError:",
"if 0:",
"if TYPE_CHECKING:",
"if __name__ == .__main__.:",
"if self.debug:",
"if settings.DEBUG",
"if typing.TYPE_CHECKING:",
"pragma: no cover",
"raise AssertionError",
"raise NotImplementedError",
"show_plot",
]
[tool.mypy]
ignore_missing_imports = true
namespace_packages = true
explicit_package_bases = true
no_implicit_optional = false
disable_error_code = "annotation-unchecked"
[[tool.mypy.overrides]]
module = ["requests.*", "tabulate.*"]
ignore_missing_imports = true
[tool.codespell]
ignore-words-list = """
titel,alls,ans,nd,mater,nwo,te,hart,ontop,ist,ot,fo,nax,coo,coul,ser,leary,thre,fase,
rute,reson,titels,ges,scalr,strat,struc,hda,nin,ons,pres,kno,loos,lamda,lew,atomate
"""
skip = "pymatgen/analysis/aflow_prototypes.json"
check-filenames = true
[tool.pyright]
typeCheckingMode = "off"
reportPossiblyUnboundVariable = true
reportUnboundVariable = true
reportMissingImports = false
reportMissingModuleSource = false
reportInvalidTypeForm = false
exclude = ["**/tests"]