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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools>=61.0", "setuptools-scm>=8.0"]
build-backend = "setuptools.build_meta"
[project]
name = "basis_set_exchange"
dynamic = ["version"]
authors = [
{ name="Benjamin Pritchard", email="[email protected]" },
{ name="Susi Lehtola", email="[email protected]" },
]
description='The Basis Set Exchange'
readme = "README.md"
license = { file="LICENSE" }
requires-python = ">=3.8"
classifiers = [
"Programming Language :: Python :: 3",
"Intended Audience :: Science/Research",
"Operating System :: POSIX :: Linux",
"Operating System :: MacOS",
]
dependencies = [
"jsonschema",
"argcomplete",
"regex",
"unidecode",
]
[project.optional-dependencies]
docs = [
"sphinx",
"sphinx_rtd_theme",
"sphinxcontrib-programoutput",
"graphviz"
]
tests = [
"pytest",
]
lint = [
"yapf",
]
curate = [
"graphviz",
]
[project.scripts]
bse = "basis_set_exchange.cli:run_bse_cli"
bsecurate = "basis_set_exchange.cli:run_bsecurate_cli"
[tool.setuptools.package-data]
[project.urls]
"Homepage" = "https://www.basissetexchange.org"
"Bug Tracker" = "https://github.com/MolSSI-BSE/basis_set_exchange/issues"
[tool.black]
line-length = 120
[tool.setuptools_scm]
[tool.versioningit.vcs]
default-tag = "0.0.99" # useful for CI/shallow clones