import os
from os.path import relpath, join
from setuptools import setup, find_packages

def read(fname):
    return open(os.path.join(os.path.dirname(__file__), fname)).read()

def find_package_data(data_root, package_root):
    files = []
    for root, dirnames, filenames in os.walk(data_root):
        for fn in filenames:
            files.append(relpath(join(root, fn), package_root))
    return files

try:
    # Symlink converted ffxml directories so we don't need to copy files
    os.makedirs('openmmforcefields/ffxml')
    os.symlink('../../amber/ffxml/', 'openmmforcefields/ffxml/amber')
    os.symlink('../../charmm/ffxml/', 'openmmforcefields/ffxml/charmm')

    setup(
        name = "openmmforcefields",
        version = "0.0.0",
        author = "Rafal P. Wiewiora, Chaya Stern, Peter Eastman, and John D. Chodera",
        author_email = "john.chodera@choderalab.org",
        description = ("Biomolecular forcefields and small molecule support for OpenMM"),
        license = "MIT",
        keywords = "molecular mechanics, forcefield, OpenMM, AMBER, CHARMM, GAFF",
        url = "http://github.com/choderalab/openmm-forcefields",
        packages=['openmmforcefields', 'openmmforcefields.tests'],
        package_dir={
            'openmmforcefields': 'openmmforcefields',
        },
        long_description=read('README.md'),
        install_requires=[
        #    'openmm>=7.2',
        ],
        classifiers=[
            "Development Status :: 3 - Alpha",
            "Topic :: Utilities",
            "License :: OSI Approved :: MIT",
        ],
        entry_points={
            'console_scripts': [],
            'openmm.forcefielddir' : [
                'ffxml = openmmforcefields.utils:get_ffxml_path',
                ],
            },
        package_data={
            'openmmforcefields': ['ffxml/amber/*.xml', 'ffxml/charmm/*.xml']
            },
    )
finally:
    # Clean up temporary symlinks
    os.unlink('openmmforcefields/ffxml/amber')
    os.unlink('openmmforcefields/ffxml/charmm')
    os.removedirs('openmmforcefields/ffxml')