setup.py

"""Foyer: Atomtyping and forcefield applying. """

from __future__ import print_function

from setuptools import setup, find_packages

#####################################
VERSION = "0.7.6"
ISRELEASED = True
if ISRELEASED:
    __version__ = VERSION
else:
    __version__ = VERSION + '.dev0'
#####################################


setup(
    name='foyer',
    version=__version__,
    description=__doc__.split('\n')[0],
    long_description=__doc__,
    author='Janos Sallai, Christoph Klein',
    author_email='janos.sallai@vanderbilt.edu, christoph.klein@vanderbilt.edu',
    url='https://github.com/mosdef-hub/foyer',
    download_url='https://github.com/mosdef-hub/foyer/tarball/{}'.format(__version__),
    packages=find_packages(),
    package_data={'foyer': ['foyer/tests/*.txt',
                            'foyer/tests/files/*.mol2',
                            'foyer/tests/files/*.pdb',
                            'foyer/tests/files/*.xml',
                            'foyer/forcefields/*.xml',
                            'opls_validation/*/*.top',
                            'opls_validation/*/*.gro',
                            'opls_validation/*/*.mol2',
                            'opls_validation/oplsaa.ff/*',
                            'examples/files/*'
                            ]},
    entry_points={
        'foyer.forcefields':[
            "load_OPLSAA = foyer.forcefields.forcefields:load_OPLSAA",
            "load_TRAPPE_UA = foyer.forcefields.forcefields:load_TRAPPE_UA",
        ]
    },
    package_dir={'foyer': 'foyer'},
    include_package_data=True,
    license="MIT",
    zip_safe=False,
    keywords='foyer',
    classifiers=[
        'Development Status :: 4 - Beta',
        'Intended Audience :: Science/Research',
        'Intended Audience :: Developers',
        'License :: OSI Approved :: MIT License',
        'Natural Language :: English',
        'Programming Language :: Python',
        'Programming Language :: Python :: 2.7',
        'Programming Language :: Python :: 3',
        'Topic :: Scientific/Engineering :: Chemistry',
        'Operating System :: Microsoft :: Windows',
        'Operating System :: POSIX',
        'Operating System :: Unix',
        'Operating System :: MacOS',
    ],
)