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setup.py
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from setuptools import setup
setup(
name='gautools',
packages=['gautools'],
scripts=[
'gautools/aml.py',
'gautools/create_runs.py',
'gautools/geomRegex.py',
'gautools/out_to_list.py',
'gautools/out_to_list_sf.py',
'gautools/submit_gaussian.py',
'gautools/xtorun.py',
'gautools/xyz_to_inp.py',
'gautools/xyz_to_inpglob.py',
],
url='https://github.com/theavey/QM-calc-scripts',
license='Apache License 2.0',
author='Thomas Heavey',
author_email='[email protected]',
description='A set of scripts that are useful for creating, submitting, '
'and processing QM calculations',
install_requires=[
'MDAnalysis>=0.17.0',
'thtools',
'numpy',
'six',
'paratemp',
'parmed',
],
classifiers=[
'Development Status :: 4 - Beta',
'Intended Audience :: Science/Research',
'Programming Language :: Python :: 3',
],
zip_safe=True,
)