chython/pyproject.toml at master · POSidorov/chython · GitHub

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[tool.poetry]
name = 'chython'
version = '2.19'
description = 'Library for processing molecules and reactions in python way'
authors = ['Ramil Nugmanov <nougmanoff@protonmail.com>']
license = 'LGPLv3'
readme = 'README.rst'
homepage = 'https://github.com/chython/chython'
documentation = 'https://chython.readthedocs.io'
classifiers=[
    'Environment :: Plugins',
    'Intended Audience :: Science/Research',
    'License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)',
    'Operating System :: OS Independent',
    'Programming Language :: Python',
    'Programming Language :: Python :: 3 :: Only',
    'Programming Language :: Python :: 3.10',
    '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'
]

include = [
    {path = 'chython/*/*.pyd', format = 'wheel'},
    {path = 'chython/*/*.so', format = 'wheel'},
    {path = 'chython/files/libinchi/libinchi.*', format = 'wheel'}
]

[tool.poetry.dependencies]
python = ">=3.10"
lazy-object-proxy = '>=1.6'
numpy = ">=1.21.0"
mini-racer = {version = '>=0.12.4', optional = true}
py-mini-racer = {version = '>=0.6.0', optional = true}
onnxruntime = {version = '>=1.16', optional = true}
scipy = {version = '>=1.10', optional = true}
chython-rxnmap = {version = '>=2.0', optional = true}
rdkit = {version = '>=2023.9', optional = true}
pyppeteer = {version = '>=2.0.0', optional = true}
jpype1 = {version = '>=1.6.0', optional = true}
openbabel-wheel = {version = '>=3.1.1.22', optional = true}
cdpkit = {version = '>=1.2.3', optional = true}

[tool.poetry.extras]
mapping = ['onnxruntime', 'scipy', 'chython-rxnmap']
rdkit = ['rdkit']
png = ['pyppeteer']
racer-default = ['mini-racer']
racer-deprecated = ['py-mini-racer']
extra-clean2d = ['jpype1', 'openbabel-wheel']
extra-clean3d = ['cdpkit']

[tool.poetry.group.dev]
optional = true

[tool.poetry.group.dev.dependencies]
pytest = '>=7.4.3'

[tool.poetry.group.docs]
optional = true

[tool.poetry.group.docs.dependencies]
sphinx = '>=7.0'
furo = '>=2024.1'

[build-system]
requires = ['poetry-core', 'setuptools', 'cython>=3.0.5']
build-backend = 'poetry.core.masonry.api'

[tool.poetry.build]
script = 'build.py'
generate-setup-file = false