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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_md",
version="3.7.2",
author="Biobb developers",
author_email="pau.andrio@bsc.es",
description="Deprecated Package: biobb_md is no longer maintained and has been superseded by the biobb_gromacs package. Biobb_md is the Biobb module collection to perform molecular dynamics simulations.",
long_description=long_description,
long_description_content_type="text/markdown",
keywords="Bioinformatics Workflows BioExcel Compatibility",
url="https://github.com/bioexcel/biobb_md",
project_urls={
"Documentation": "http://biobb-md.readthedocs.io/en/latest/",
"Bioexcel": "https://bioexcel.eu/"
},
packages=setuptools.find_packages(exclude=['docs', 'test']),
package_data={'biobb_md': ['py.typed']},
install_requires=['biobb_common==3.7.0'],
python_requires='==3.7.*',
entry_points={
"console_scripts": [
"editconf = biobb_md.gromacs.editconf:main",
"genion = biobb_md.gromacs.genion:main",
"genrestr = biobb_md.gromacs.genrestr:main",
"grompp = biobb_md.gromacs.grompp:main",
"make_ndx = biobb_md.gromacs.make_ndx:main",
"gmxselect = biobb_md.gromacs.gmxselect:main",
"mdrun = biobb_md.gromacs.mdrun:main",
"grompp_mdrun = biobb_md.gromacs.grompp_mdrun:main",
"pdb2gmx = biobb_md.gromacs.pdb2gmx:main",
"solvate = biobb_md.gromacs.solvate:main",
"ndx2resttop = biobb_md.gromacs_extra.ndx2resttop:main",
"append_ligand = biobb_md.gromacs_extra.append_ligand:main"
]
},
classifiers=[
"Development Status :: 3 - Alpha",
"Programming Language :: Python :: 3.7",
"License :: OSI Approved :: Apache Software License",
"Operating System :: MacOS :: MacOS X",
"Operating System :: POSIX"
],
)