CGRtools/pyproject.toml at main · asiomchen/CGRtools · GitHub

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[build-system]
requires = ["setuptools>=64", "wheel", "cython>=0.29,<3.2"]
build-backend = "setuptools.build_meta"

[project]
name = "cgrtools-plus"
version = "4.1.35"
description = "Tools for processing of reactions based on Condensed Graph of Reaction (CGR) approach - Enhanced fork with modern Python support"
readme = "README.rst"
requires-python = ">=3.8"
license = "LGPL-3.0-or-later"
authors = [
    {name = "Dr. Ramil Nugmanov", email = "nougmanoff@protonmail.com"},
    {name = "Dr. Timur Madzhidov", email = "tmadzhidov@gmail.com"},
    {name = "Valentina Afonina"}
]
maintainers = [
    {name = "Anton Siomchen", email = "anton.siomchen+cgrtools@gmail.com"}
]
keywords = ["chemistry", "chemoinformatics", "reaction", "molecule"]
classifiers = [
    "Environment :: Plugins",
    "Intended Audience :: Science/Research",
    "Operating System :: OS Independent",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3.7",
    "Programming Language :: Python :: 3.8",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Topic :: Scientific/Engineering",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Information Analysis",
    "Topic :: Software Development",
    "Topic :: Software Development :: Libraries",
    "Topic :: Software Development :: Libraries :: Python Modules"
]
dependencies = [
    "CachedMethods>=0.1.4,<0.2"
]

[project.optional-dependencies]
mrv = ["lxml>=4.1"]
clean2d = ["py-mini-racer>=0.4.0"]
jit = ["numpy>=1.18", "numba>=0.50"]
dev = [
    "wheel",
    "cython",
    "build",
    "pytest",
    "ipython"
]

[project.urls]
Homepage = "https://github.com/asiomchen/CGRtools"
Documentation = "https://cgrtools.readthedocs.io"
Repository = "https://github.com/asiomchen/CGRtools"
Issues = "https://github.com/asiomchen/CGRtools/issues"

[tool.setuptools]
zip-safe = false

[tool.setuptools.packages.find]
include = ["CGRtools*"]

[tool.setuptools.package-data]
"CGRtools.algorithms.calculate2d" = ["clean2d.js"]
"CGRtools.containers" = ["_unpack.pyx"]

[tool.cibuildwheel]
build = ["cp310-*", "cp311-*", "cp312-*", "cp313-*", "cp314-*"]
skip = ["*-musllinux_*"]
build-frontend = "build"