import setuptools
import versioneer

short_description = "OptKing is a python geometry optimization module originally written for PSI by R. A. King."

try:
    with open("README.md", "r") as handle:
        long_description = handle.read()
except:
    long_description = short_description

if __name__ == "__main__":
    setuptools.setup(
        name="OptKing",
        description="A geometry optimizer for quantum chemistry.",
        author="Rollin King",
        author_email="rking@bethel.edu",
        url="https://github.com/psi-rking/optking",
        license="BSD-3C",
        version=versioneer.get_version(),
        cmdclass=versioneer.get_cmdclass(),
        packages=setuptools.find_packages(),
        include_package_data=True,
        install_requires=[
            "numpy>=1.20",
            "qcelemental>=0.20.0",
            "qcengine>=0.20.0",
            "msgpack>=1.0",
            "pydantic>=1.10",
        ],
        extras_require={
            "docs": [
                "sphinx",  # autodoc was broken in 1.3.1
                "sphinxcontrib-napoleon",
                "sphinx-automodapi"
                "sphinx-design",
                "pydata-sphinx-theme",
                "pydantic-autodoc",
                "numpydoc",
            ],
            "tests": ["pytest", "pytest-cov", "pytest-pep8", "packaging",],
        },
        tests_require=["pytest", "pytest-cov", "pytest-pep8", "packaging",],
        classifiers=[
            "Development Status :: 4 - Beta",
            "Intended Audience :: Science/Research",
            "Programming Language :: Python :: 3",
        ],
        zip_safe=False,
        long_description=long_description,
        long_description_content_type="text/markdown",
    )
