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setup.py
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setup.py
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import PPP
from setuptools import setup, find_packages
# To use a consistent encoding
from codecs import open
from os import path
from distutils.extension import Extension
here = path.abspath(path.dirname(__file__))
ext_modules = []
cmdclass = {}
# Get the long description from the README file
with open(path.join(here, 'README.md'), encoding='utf-8') as f:
long_description = f.read()
setup(
name="PPPele",
version=PPP.__version__,
description='Protein PELE preparation',
long_description=long_description,
url="https://github.com/NostrumBioDiscovery/PPP",
author='Nostrum Biodiscovery',
author_email='it@nostrumbiodiscovery.com',
packages=find_packages(exclude=['docs', 'tests']),
package_data={"PPP/Data/Templates/OPLS2005/HeteroAtoms/": ['*'],
"PPP/Data/Templates/OPLS2005/Protein": ['*'],
"PPP/Data/RotamerLibs/": ['*']},
include_package_data=True,
install_requires=["biopython", "prody", "pytest", "scipy"],
cmdclass=cmdclass,
ext_modules=ext_modules # accepts a glob pattern
)