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50 lines (45 loc) · 1.44 KB
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
from __future__ import print_function
from setuptools import setup, find_packages
import os
import io
from easymecp import __version__
here = os.path.abspath(os.path.dirname(__file__))
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(here, filename), encoding=encoding) as f:
buf.append(f.read())
return sep.join(buf)
long_description = read('README.md')
setup(
name='easymecp',
version=__version__,
url='https://github.com/jaimergp/easymecp',
license='MIT License',
author='Jaime RGP',
author_email='jaime.rogue@gmail.com',
description='Python utilities for performing MECP (Minimum Energy Crossing Point) with Gaussian.',
long_description=long_description,
packages=find_packages(),
include_package_data=True,
platforms='any',
classifiers=[
'Programming Language :: Python',
'Development Status :: 3 - Alpha',
'Natural Language :: English',
'Environment :: Console',
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Operating System :: OS Independent',
'Topic :: Scientific/Engineering :: Chemistry',
],
entry_points='''
[console_scripts]
easymecp=easymecp.easymecp:main
'''
,
)