setup.py

#!/usr/bin/env python
# -*- coding: utf-8 -*-

"""
calphy: a Python library and command line interface for automated free
energy calculations.

Copyright 2021  (c) Sarath Menon^1, Yury Lysogorskiy^1, Ralf Drautz^1
^1: Ruhr-University Bochum, Bochum, Germany

More information about the program can be found in:
Menon, Sarath, Yury Lysogorskiy, Jutta Rogal, and Ralf Drautz. 
“Automated Free Energy Calculation from Atomistic Simulations.” 
ArXiv:2107.08980 [Cond-Mat], July 19, 2021. 
http://arxiv.org/abs/2107.08980.

This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.

This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.

See the LICENSE file.

For more information contact:
sarath.menon@ruhr-uni-bochum.de
"""

from setuptools import setup, find_packages, Extension

with open('README.md') as readme_file:
    readme = readme_file.read()

setup_requirements = ['pytest-runner', ]
test_requirements = ['pytest>=3', ]

setup(
    author="Sarath Menon, Yury Lysogorskiy, Ralf Drautz",
    author_email='sarathmenon@mailbox.org',
    python_requires='>=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*',
    classifiers=[
        'Development Status :: 2 - Pre-Alpha',
        'Intended Audience :: Developers',
        'License :: OSI Approved :: GNU General Public License v3 (GPLv3)',
        'Natural Language :: English',
        'Programming Language :: Python :: 3',
        'Programming Language :: Python :: 3.5',
        'Programming Language :: Python :: 3.6',
        'Programming Language :: Python :: 3.7',
    ],
    description="free energy calculation for python",
    install_requires=['matplotlib'],
    license="GNU General Public License v3",
    long_description=readme,
    include_package_data=True,
    keywords='calphy',
    name='calphy',
    packages=find_packages(include=['calphy', 'calphy.*']),
    setup_requires=setup_requirements,
    test_suite='tests',
    tests_require=test_requirements,
    url='https://git.noc.ruhr-uni-bochum.de/atomicclusterexpansion/calphy',
    version='0.5.8',
    zip_safe=False,
    entry_points={
        'console_scripts': [
            'calphy = calphy.kernel:main',
            'calphy_kernel = calphy.queuekernel:main',
        ],
    }
)