setup.py

""""
MaterialsCoord: NearNeighbor benchmarking.
"""
from pathlib import Path

from setuptools import find_packages, setup

from materialscoord import __version__ as version

long_description = Path("README.md").read_text()
reqs_raw = Path("requirements.txt").read_text()
reqs_list = [r.split("==")[0] for r in reqs_raw.split("\n")]

setup(
    name="materialscoord",
    version=version,
    url="https://github.com/hackingmaterials/MaterialsCoord",
    license="A modified BSD license",
    author="Hillary Pan",
    author_email="hp393@cornell.edu",
    description="Materials coordination benchmarking",
    long_description=long_description,
    long_description_content_type="text/markdown",
    classifiers=[
        "Development Status :: 3 - Alpha",
        "Intended Audience :: Science/Research",
        "Intended Audience :: Information Technology",
        "Natural Language :: English",
        "Programming Language :: Python :: 3 :: Only",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Topic :: Scientific/Engineering :: Physics",
        "Topic :: Scientific/Engineering",
        "Topic :: Other/Nonlisted Topic",
        "Operating System :: OS Independent",
    ],
    keywords="crystal-structure crystallography benchmark",
    packages=find_packages(),
    install_requires=reqs_list,
    extras_require={"tests": ["tests", "coverage", "coveralls"]},
    package_data={"materialscoord": ["structures/*/*"]},
    data_files=["LICENSE"],
)