setup.py

from setuptools import setup, find_packages, Extension

if __name__ == "__main__":
    setup(name='critcatworks',
        version='0.6.1',
        url="https://github.com/singroup/critcatworks/",
        description='A Python package for creating DFT workflows for nanoclusters.',
        long_description='A Python package for creating workflows for nanoclusters.',
        packages=find_packages(),
        install_requires=[
            'fireworks>=1.8.8',
            'pymongo>=3.6.1'
            'numpy',
            'scipy',
            'ase',
            'future',
            'cluskit>=4.1.9',
            'pathlib',
            'pprint',
            'sklearn',
            'dnspython',
            'pycp2k',
        ],
        license="GNU General Public License v3.0",
        classifiers=[
            'Development Status :: 4 - Beta',
            'Intended Audience :: Developers',
            'Topic :: Scientific/Engineering :: Physics',
            'License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)',
            'Programming Language :: Python :: 2',
            'Programming Language :: Python :: 2.6',
            'Programming Language :: Python :: 2.7',
            'Programming Language :: Python :: 3',
            'Programming Language :: Python :: 3.2',
            'Programming Language :: Python :: 3.3',
            'Programming Language :: Python :: 3.4',
            'Programming Language :: Python :: 3.5',
            'Programming Language :: Python :: 3.6',
        ],
        keywords='atoms structure materials science nano clusters workflow DFT CP2K machine learning',
        python_requires='>=2.6, <4',
    )