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from setuptools import setup
import io
# read the contents of your README file
from os import path
this_directory = path.abspath(path.dirname(__file__))
with io.open(path.join(this_directory, 'README.md'), encoding='utf-8') as f:
long_description = f.read()
setup(
name='goodvibes',
packages=['goodvibes', 'goodvibes.examples', 'goodvibes.examples.gconf_ee_boltz', 'goodvibes.examples.media_conc', 'goodvibes.examples.pes'],
version='3.2',
description='A python program to compute corrections to thermochemical data from frequency calculations',
long_description=long_description,
long_description_content_type='text/markdown',
author='Paton Research Group',
author_email='robert.paton@colostate.edu',
url='https://github.com/patonlab/goodvibes',
download_url='https://github.com/patonlab/GoodVibes/archive/v3.2.zip',
keywords=['compchem', 'thermochemistry', 'gaussian', 'vibrational-entropies', 'temperature'],
classifiers=[],
install_requires=['numpy','cclib'],
python_requires='>=3.0',
include_package_data=True,
entry_points={
'console_scripts': [
'goodvibes = goodvibes.GoodVibes:main',
],
}
)
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