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setup.py
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setup.py
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import setuptools
with open("README.md", "r") as fh:
long_description = fh.read()
setuptools.setup(
name="biobb_chemistry",
version="5.0.0",
author="Biobb developers",
author_email="genis.bayarri@irbbarcelona.org",
description="Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations.",
long_description=long_description,
long_description_content_type="text/markdown",
keywords="Bioinformatics Workflows BioExcel Compatibility",
url="https://github.com/bioexcel/biobb_chemistry",
project_urls={
"Documentation": "https://biobb-chemistry.readthedocs.io/en/latest/",
"Bioexcel": "https://bioexcel.eu/"
},
packages=setuptools.find_packages(exclude=['docs', 'test']),
package_data={'biobb_chemistry': ['py.typed']},
install_requires=['biobb_common==5.0.0'],
python_requires='>=3.9',
entry_points={
"console_scripts": [
"acpype_params_ac = biobb_chemistry.acpype.acpype_params_ac:main",
"acpype_params_cns = biobb_chemistry.acpype.acpype_params_cns:main",
"acpype_params_gmx_opls = biobb_chemistry.acpype.acpype_params_gmx_opls:main",
"acpype_params_gmx = biobb_chemistry.acpype.acpype_params_gmx:main",
"reduce_add_hydrogens = biobb_chemistry.ambertools.reduce_add_hydrogens:main",
"reduce_remove_hydrogens = biobb_chemistry.ambertools.reduce_remove_hydrogens:main",
"babel_add_hydrogens = biobb_chemistry.babelm.babel_add_hydrogens:main",
"babel_convert = biobb_chemistry.babelm.babel_convert:main",
"babel_minimize = biobb_chemistry.babelm.babel_minimize:main",
"babel_remove_hydrogens = biobb_chemistry.babelm.babel_remove_hydrogens:main"
]
},
classifiers=[
"Development Status :: 5 - Production/Stable",
"Programming Language :: Python :: 3.9",
"License :: OSI Approved :: Apache Software License",
"Operating System :: MacOS :: MacOS X",
"Operating System :: POSIX",
"Operating System :: Unix"
],
)