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setup.py
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setup.py
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
from setuptools import setup, find_packages
import io
import os
import versioneer
VERSION = versioneer.get_version()
def read(*filenames, **kwargs):
encoding = kwargs.get('encoding', 'utf-8')
sep = kwargs.get('sep', '\n')
buf = []
for filename in filenames:
with io.open(os.path.join(os.path.dirname(__file__), filename), encoding=encoding) as f:
buf.append(f.read())
return sep.join(buf)
long_description = read('README.rst')
setup(
name='ommprotocol',
version=VERSION,
cmdclass=versioneer.get_cmdclass(),
url='https://github.com/insilichem/ommprotocol',
download_url='https://github.com/insilichem/ommprotocol/tarball/v' + VERSION,
license='LGPL',
author="Jaime Rodríguez-Guerra",
author_email='[email protected]',
description='Easy to deploy MD protocols for OpenMM',
long_description=long_description,
packages=find_packages(),
package_data={'': ['../examples/*.yaml']},
platforms='any',
classifiers=[
'Programming Language :: Python',
'Development Status :: 3 - Alpha',
'Natural Language :: English',
'Environment :: Console',
'Intended Audience :: Science/Research',
'License :: OSI Approved :: GNU Library or Lesser General Public License (LGPL)',
'Operating System :: OS Independent',
'Topic :: Scientific/Engineering :: Chemistry',
],
entry_points='''
[console_scripts]
ommprotocol=ommprotocol:run_protocol
ommanalyze=ommprotocol.analyze:main
state2pdb=ommprotocol:state_to_pdb
exportframe=ommprotocol:export_frame
''',
)