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setup.py
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setup.py
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from setuptools import setup, find_packages
from codecs import open
from os import path
here = path.abspath(path.dirname(__file__))
with open(path.join(here, 'README.rst'), encoding='utf-8') as f:
long_description = f.read()
setup(
name='TS-PPTIS',
version='1.3.2',
description='A new python implementation of Transition State - Partial Path Transition Interface Sampling',
long_description=long_description,
url='https://github.com/ucl-tspptis/TS-PPTIS',
download_url = 'https://github.com/ucl-tspptis/TS-PPTIS/archive/2.0.0.tar.gz',
author='Federico Comitani, Giulio Mattedi',
author_email='f.comitani@ucl.ac.uk, g.mattedi.16@ucl.ac.uk',
license='GPL-3.0',
classifiers=[
'Development Status :: 3 - Alpha',
'Intended Audience :: Science/Research',
'Topic :: Scientific/Engineering',
'License :: OSI Approved :: GNU General Public License v3.0',
'Programming Language :: Python :: 2.7',
'Programming Language :: Python :: 3.3'
],
keywords='tspptis, md, kinetics',
packages=find_packages(exclude=['contrib', 'docs', 'tests','testfiles']),
install_requires=['numpy','mdtraj'],
extras_require={},
entry_points={
'console_scripts': [
'tspptis=tspptis:main',
],
},
)