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setup.py
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setup.py
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from setuptools import setup, find_packages
with open("README.md", "r") as fh:
long_description = fh.read()
setup(name='LigPargen',
version='2.1',
description='A new version of the ligpargen including alchemical transformations',
long_description=long_description,
long_description_content_type="text/markdown",
classifiers=[
'Development Status :: Release',
'License :: MIT License',
'Programming Language :: Python :: 3.7',
"Operating System :: OS Linux",
'Topic :: Molecular Mechanics :: Force Field parameterization',
],
keywords='OPLS OPLSAA CM1A CM1A-LBCC',
url='https://github.com/Isra3l/ligpargen',
author='Israel Cabeza de Vaca Lopez',
author_email='israel.cabezadevaca@icm.uu.se',
license='MIT License',
packages=find_packages(),
install_requires=[
'markdown', 'numpy', 'pybel'
],
entry_points={
'console_scripts': ['ligpargen=ligpargen.ligpargen:main'],
},
include_package_data=True,
python_requires='==3.7.*',
zip_safe=False)