from distutils.core import setup
import setuptools  # noqa
from os import path

this_directory = path.abspath(path.dirname(__file__))
with open(path.join(this_directory, "README.md"), encoding="utf-8") as f:
    long_description = f.read()

exec(open("pyxtal/version.py").read())

with open("README.md", "r") as fh:
    long_description = fh.read()

setup(
    name="pyxtal",
    version=__version__,
    author="Scott Fredericks, Qiang Zhu",
    author_email="qiang.zhu@unlv.edu",
    description="Python code for generation of crystal structures based on symmetry constraints.",
    long_description=long_description,
    long_description_content_type="text/markdown",
    url="https://github.com/qzhu2017/PyXtal",
    packages=[
        "pyxtal",
        "pyxtal.database",
        "pyxtal.interface",
        "pyxtal.optimize",
        "pyxtal.potentials",
    ],
    package_data={
        "pyxtal.database": ["*.csv", "*.json"],
        #'pyxtal.potentials': ['*'],
    },
    scripts=[
        "scripts/pyxtal_atom.py",
        "scripts/pyxtal_test.py",
        "scripts/pyxtal_symmetry.py",
        "scripts/pyxtal_molecule.py",
    ],
    classifiers=[
        "Programming Language :: Python :: 3",
        "License :: OSI Approved :: MIT License",
        "Operating System :: OS Independent",
    ],
    install_requires=[
        "spglib>=1.10.4",
        "pymatgen>=2020.1.28",
        "pandas>=0.24.2",
        "networkx>=2.3",
        #"openbabel>=3.0.0",
    ],
    python_requires=">=3.6.1",
    license="MIT",
)
