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#***********************************************************************
# This file is part of OpenMolcas. *
# *
# OpenMolcas is free software; you can redistribute it and/or modify *
# it under the terms of the GNU Lesser General Public License, v. 2.1. *
# OpenMolcas is distributed in the hope that it will be useful, but it *
# is provided "as is" and without any express or implied warranties. *
# For more details see the full text of the license in the file *
# LICENSE or in <http://www.gnu.org/licenses/>. *
# *
# Copyright (C) 2020, Oskar Weser *
#***********************************************************************
#!/usr/bin/env python
# -*- encoding: utf-8 -*-
import io
import re
from glob import glob
from os.path import basename, dirname, join, splitext
from setuptools import find_packages
from setuptools import setup
def read(*names, **kwargs):
with io.open(
join(dirname(__file__), *names),
encoding=kwargs.get('encoding', 'utf8')
) as fh:
return fh.read()
setup(
name='analyze_molcas',
version='0.0.0',
license='LGPLv2',
description='Module for molcas utility functions.',
author='Oskar Weser',
author_email='oskar.weser@gmail.com',
packages=find_packages('src'),
package_dir={'': 'src'},
py_modules=[splitext(basename(path))[0] for path in glob('src/*.py')],
include_package_data=True,
zip_safe=False,
classifiers=[
# complete classifier list: http://pypi.python.org/pypi?%3Aaction=list_classifiers
'Development Status :: 3 - Alpha',
'Intended Audience :: Developers',
'License :: OSI Approved :: GNU Lesser General Public License v2 (LGPLv2)',
'Operating System :: Unix',
'Operating System :: POSIX',
'Operating System :: Microsoft :: Windows',
'Programming Language :: Python :: 3.6',
'Programming Language :: Python :: 3.7',
'Programming Language :: Python :: Implementation :: CPython',
'Topic :: Utilities',
],
keywords=[
# eg: 'keyword1', 'keyword2', 'keyword3',
],
python_requires='>=3.6',
install_requires=[
'click', 'attrs'
],
# extras_require={
# # eg:
# # 'rst': ['docutils>=0.11'],
# # ':python_version=="2.6"': ['argparse'],
# },
entry_points={
'console_scripts': [
'spat_to_spin = analyze_molcas.cli:spat_to_spin',
'assimilate = analyze_molcas.cli:assimilate',
'combine_orbs = analyze_molcas.cli:combine_orbs',
]
},
)
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