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setup.py
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from setuptools import setup, find_packages
setup(
name = 'LigParGen',
packages = ['LigParGen'], # this must be the same as the name above
version = '0.13',
description = 'Python script to provide BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.',
author = 'Leela S. Dodda, Matthew C. Robinson',
author_email = '[email protected]',
license='MIT',
url='https://bitbucket.org/leelasd/ligpargen_2017_sep18',
keywords = ['computational chemistry', 'force fields', 'molecular dynamics'],
classifiers = [
'Programming Language :: Python :: 3.6',
'Programming Language :: Python :: 2.7',
'Topic :: Scientific/Engineering',
],
install_requires=['numpy','pandas'],
entry_points={
'console_scripts': [
'converter=LigParGen.Converter:main',
],
},
)