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setup.py
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import os
import numpy
from setuptools import setup, find_packages
CURR_PATH = os.path.abspath(os.path.dirname(__file__))
# Get the long description from the README file
with open(os.path.join(CURR_PATH, 'README.md'), encoding='utf-8') as f:
long_description = f.read()
setup(
name="LibPrep",
version="1.0",
description='Python package to analyse and prepare libraries of chemical compounds for molecular simulations.',
long_description=long_description,
url="https://github.com/carlesperez94/lib_prep",
author='Carles Perez Lopez',
author_email='[email protected]',
license='',
packages=find_packages(exclude=['docs', 'tests']),
include_dirs=[numpy.get_include()],
install_requires=['rdkit', 'ProDy==1.10', 'scipy', 'biopython', 'pyparsing'],
classifiers=[
"Programming Language :: Python :: 3",
"License :: OSI Approved :: MIT License",
"Operating System :: POSIX :: Linux",
"Intended Audience :: Science/Research"
],
project_urls={
'Documentation': 'https://carlesperez94.github.io/lib_prep/',
'Source': 'https://carlesperez94.github.io/lib_prep/',
'Tracker': 'https://github.com/carlesperez94/lib_prep/issues',
},
)