pyKVFinder/pyproject.toml at master · elementare/pyKVFinder · GitHub

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[build-system]
requires = [
    "setuptools>=62.0",
    "wheel>=0.37.1",
    "Cython>=0.29",
    "numpy>=1.21.5",
]
build-backend = "setuptools.build_meta"

[project]
name = "pyKVFinder"
description = "Python package to detect and characterize cavities in biomolecular structures"
authors = [
    { name = "João Victor da Silva Guerra", email = "jvsguerra@gmail.com" },
    { name = "Helder Veras Ribeiro Filho" },
    { name = "Luiz Fernando Giolo Alves" },
    { name = "Gabriel Ernesto Jara" },
    { name = "Leandro Oliveira Bortot" },
    { name = "José Geraldo de Carvalho Pereira" },
    { name = "Paulo Sergio Lopes-de-Oliveira" },
]
maintainers = [
    { name = "João Victor da Silva Guerra", email = "jvsguerra@gmail.com" },
]
license = { file = "LICENSE.txt" }
readme = { file = "README.rst", content-type = "text/x-rst" }
requires-python = ">=3.9"
keywords = [
    "structural biology",
    "proteins",
    "biomolecules",
    "cavity detection",
    "cavity characterization",
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
    'Programming Language :: C',
    'Programming Language :: Python',
    'Programming Language :: Python :: 3',
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3 :: Only",
    'Programming Language :: Python :: Implementation :: CPython',
    'Topic :: Software Development',
    'Topic :: Scientific/Engineering',
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Topic :: Scientific/Engineering :: Chemistry",
    'Operating System :: Microsoft :: Windows',
    'Operating System :: Unix',
    'Operating System :: MacOS',
]
dependencies = [
    "toml==0.10.2",
    "numpy==1.26.4",
    "matplotlib==3.8.3",
    "plotly==5.20.0",
]
dynamic = ["version"]

[project.optional-dependencies]
dev = ["pytest==8.1.1", "pytest-cov==4.1.0", "black==24.3.0", "flake8==7.0.0"]

[project.urls]
homepage = "https://github.com/LBC-LNBio/pyKVFinder/"
documentation = "https://lbc-lnbio.github.io/pyKVFinder/"
issues = "https://github.com/LBC-LNBio/pyKVFinder/issues"

[project.scripts]
pyKVFinder = "pyKVFinder.main:cli"

[tool.setuptools]
packages = ["pyKVFinder", "pyKVFinder.data", "pyKVFinder.data.tests"]
py-modules = ["_pyKVFinder"]
include-package-data = true

[tool.setuptools.dynamic]
version = { attr = "pyKVFinder.__version__" }

[tool.pytest.ini_options]
testpaths = ["tests"]

[tool.coverage.run]
omit = ["pyKVFinder/argparser.py", "pyKVFinder/__init__.py"]

[tool.cibuildwheel]
test-requires = "pytest"
test-command = "pytest {project}/tests/integration -v"
before-build = [
    "python3 -m pip install --upgrade pip",
    "pip3 install certifi",
    "git clean -fxd build",
]
build = ["cp39-*", "cp310-*", "cp311-*", "cp312-*"]

[tool.cibuildwheel.linux]
archs = ["native"]

[tool.cibuildwheel.macos]
environment = { CC = "/usr/local/bin/gcc-9", MACOS_DEVELOPMENT_TARGET = "10.9" }
before-build = ["brew install gcc@9"]
archs = ["native"]
repair-wheel-command = ""
test-skip = "*-macosx_arm64"

[tool.cibuildwheel.windows]
archs = ["native"]