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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools>=65.0", "setuptools_scm[toml]>=7.1.0"]
build-backend = "setuptools.build_meta"
[project]
name = "TinyFF"
authors = [
{ name="Toon Verstraelen", email="toon.verstraelen@ugent.be" },
]
description = "Minimalistic Force Field evaluator."
readme = "README.md"
requires-python = ">=3.11"
classifiers = [
"Environment :: Console",
"Intended Audience :: Education",
"License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
"Operating System :: POSIX",
"Operating System :: MacOS",
"Programming Language :: Python :: 3",
"Topic :: Scientific/Engineering",
"Topic :: Education :: Computer Aided Instruction (CAI)",
]
dependencies = [
# Ensure changes to these dependencies are reflected in .github/requirements-old.txt
"attrs>=23.1.0",
"npy-append-array>=0.9.16",
"numpy>=1.23.5,<2.0.0",
"scipy>=1.11.1",
]
dynamic = ["version"]
[project.optional-dependencies]
dev = [
"pytest",
"pytest-cov",
"numdifftools>=0.9.41",
]
[project.urls]
Issues = "https://github.com/molmod/tinyff/issues"
Source = "https://github.com/molmod/tinyff/"
Changelog = "https://github.com/molmod/tinyff/blob/main/CHANGELOG.md"
[tool.pytest.ini_options]
addopts = "-vv -W error --cov=src/tinyff --cov-report=term-missing"
[tool.coverage.run]
omit = ["src/tinyff/_version.py"]
[tool.ruff]
line-length = 100
target-version = "py311"
[tool.ruff.lint]
select = [
"A", "B", "BLE", "C4", "E", "EXE", "F", "I", "ICN", "ISC", "N", "NPY", "PERF", "PIE",
"PL", "PT", "PYI", "RET", "RSE", "RUF", "SIM", "SLF", "TRY", "UP", "W"
]
ignore = [
"ISC001", # https://docs.astral.sh/ruff/rules/single-line-implicit-string-concatenation/
"PLR0904", # https://docs.astral.sh/ruff/rules/too-many-public-methods/
"PLR0911", # https://docs.astral.sh/ruff/rules/too-many-return-statements/
"PLR0912", # https://docs.astral.sh/ruff/rules/too-many-branches/
"PLR0913", # https://docs.astral.sh/ruff/rules/too-many-arguments/
"PLR0914", # https://docs.astral.sh/ruff/rules/too-many-locals/
"PLR0915", # https://docs.astral.sh/ruff/rules/too-many-statements/
"PLR0916", # https://docs.astral.sh/ruff/rules/too-many-boolean-expressions/
"PLR0917", # https://docs.astral.sh/ruff/rules/too-many-positional/
"PLR2004", # https://docs.astral.sh/ruff/rules/magic-value-comparison/
"PT011", # https://docs.astral.sh/ruff/rules/pytest-raises-too-broad/
"TRY003", # https://docs.astral.sh/ruff/rules/raise-vanilla-args/
]
[tool.setuptools_scm]
write_to = "src/tinyff/_version.py"
version_scheme = "post-release"
local_scheme = "no-local-version"