"""
openmmforcefields
Additional force fields for OpenMM.
"""
import sys, os
from setuptools import setup, find_packages
import versioneer

short_description = __doc__.split("\n")

# from https://github.com/pytest-dev/pytest-runner#conditional-requirement
needs_pytest = {'pytest', 'test', 'ptr'}.intersection(sys.argv)
pytest_runner = ['pytest-runner'] if needs_pytest else []

try:
    with open("README.md", "r") as handle:
        long_description = handle.read()
except:
    long_description = "\n".join(short_description[2:])

setup(
    # Self-descriptive entries which should always be present
    name='openmmforcefields',
    author='Chodera lab // MSKCC',
    author_email='john.chodera@choderalab.org',
    description=short_description[0],
    long_description=long_description,
    long_description_content_type="text/markdown",
    keywords = "molecular mechanics, forcefield, OpenMM, AMBER, CHARMM, GAFF",
    url = "http://github.com/choderalab/openmm-forcefields",
    version=versioneer.get_version(),
    cmdclass=versioneer.get_cmdclass(),
    license='MIT',

    classifiers=[
        "Development Status :: 3 - Alpha",
        "Topic :: Utilities",
        "License :: OSI Approved :: MIT",
    ],

    # Don't install as an egg, since OpenMM can't find ffxml files if we do
    zip_safe=False,

    # Which Python importable modules should be included when your package is installed
    # Handled automatically by setuptools. Use 'exclude' to prevent some specific
    # subpackage(s) from being added, if needed
    packages=find_packages(),

    # Optional include package data to ship with your package
    # Customize MANIFEST.in if the general case does not suit your needs
    # Comment out this line to prevent the files from being packaged with your software
    include_package_data=True,

    # Allows `setup.py test` to work correctly with pytest
    setup_requires=[] + pytest_runner,

    entry_points={
        'console_scripts': [],
        'openmm.forcefielddir' : [
            'ffxml = openmmforcefields.utils:get_ffxml_path',
            ],
        },

    package_data={
        'openmmforcefields': ['ffxml/amber/*.xml', 'ffxml/amber/gaff/*.{xml,dat}', 'ffxml/charmm/*.xml']
        },
)