from setuptools import setup
import versioneer

setup(
    name="ParaTemp",
    version=versioneer.get_version(),
    cmdclass=versioneer.get_cmdclass(),
    packages=["paratemp"],
    scripts=["scripts/check-convergence.py"],
    package_data={"paratemp": ["sim_setup/SimpleSim_data/*"]},
    url="https://github.com/theavey/ParaTemp",
    license="Apache License 2.0",
    author="Thomas Heavey",
    author_email="thomasjheavey@gmail.com",
    description="Scripts for molecular dynamics analysis and parallel "
    "tempering in GROMACS",
    install_requires=[
        "MDAnalysis>=0.17.0",
        "pandas",
        "numpy",
        "matplotlib",
        "parmed",
        "panedr",
        "gromacswrapper>=0.7",
        "tables",
        "scipy",
        "six",
        "py",
    ],
    extras_require={
        "docs": [
            "sphinx",
        ],
        "tests": [
            "pytest>=3.9",
            "pytest-cov",
            "coveralls",
            "py",
        ],
    },
    tests_require=[
        "pytest>=3.9",
        "pytest-cov",
        "coveralls",
        "py",
    ],
    classifiers=[
        "Development Status :: 4 - Beta",
        "Intended Audience :: Science/Research",
        "Programming Language :: Python :: 3",
    ],
    zip_safe=True,
)
