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pyproject.toml
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pyproject.toml
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[build-system]
requires = [
"setuptools",
"wheel",
]
build-backend = "setuptools.build_meta"
[project]
name = "skmatter"
description = "A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities."
authors = [
{name = "Rose K. Cersonsky", email="[email protected]"},
{name = "Guillaume Fraux"},
{name = "Sergei Kliavinek"},
{name = "Alexander Goscinski"},
{name = "Benjamin A. Helfrecht"},
{name = "Victor P. Principe"},
{name = "Philip Loche"},
{name = "Michele Ceriotti"}
]
readme = "README.rst"
requires-python = ">=3.9"
license = {text = "BSD-3-Clause"}
classifiers = [
"Development Status :: 4 - Beta",
"Environment :: Console",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: BSD License",
"Natural Language :: English",
"Operating System :: POSIX",
"Operating System :: MacOS :: MacOS X",
"Operating System :: Microsoft :: Windows",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering",
]
dependencies = [
"scikit-learn>=1.1.0",
]
dynamic = ["version"]
[project.optional-dependencies]
examples = [
"matplotlib",
"pandas",
"tqdm",
]
[project.urls]
homepage = "http://scikit-matter.readthedocs.io"
documentation = "http://scikit-matter.readthedocs.io"
repository = "https://github.com/scikit-learn-contrib/scikit-matter"
issues = "https://github.com/scikit-learn-contrib/scikit-matterissues"
changelog = "http://scikit-matter.readthedocs.io/en/latest/changelog.html"
[tool.setuptools.packages.find]
where = ["src"]
[tool.setuptools.dynamic]
version = {attr = "skmatter.__version__"}
[tool.coverage.run]
branch = true
data_file = 'tests/.coverage'
[tool.coverage.report]
include = [
"src/skmatter/*"
]
[tool.coverage.xml]
output = 'tests/coverage.xml'
[tool.pytest.ini_options]
testpaths = "tests"
[tool.isort]
skip = "__init__.py"
profile = "black"
line_length = 88
indent = 4
include_trailing_comma = true
lines_after_imports = 2
known_first_party = "skmatter"
[tool.ruff]
exclude = ["docs/src/examples/"]
lint.ignore = [
"F401",
"E203",
"D100",
"D101",
"D102",
"D205",
"D400",
"D401",
]
line-length = 88
lint.select = [
"D",
"E",
"F",
"W",
]
[tool.ruff.lint.pydocstyle]
convention = "numpy"
[tool.ruff.lint.per-file-ignores]
"examples/**" = [
"D205",
"D400",
]