setup.py

# coding: utf-8
# Distributed under the terms of the MIT License.

import os
from glob import glob

from setuptools import find_packages, setup

from matador import __version__

with open("requirements/requirements.txt", "r") as f:
    requirements = [line.strip() for line in f.readlines()]

extra_requirements = dict(all=[])
req_files = glob("requirements/*.txt")
for _file in req_files:
    if _file != "requirements/requirements.txt":
        with open(_file, "r") as f:
            subreq = _file.split("/")[-1].split("_")[0]
            extra_requirements[subreq] = [line.strip() for line in f.readlines()]
            extra_requirements["all"] += extra_requirements[subreq]

with open("README.rst", "r") as f:
    long_description = f.read()


setup(
    name="matador-db",
    version=__version__,
    description="MATerial and Atomic Databases Of Refined structures.",
    long_description=long_description,
    url="https://github.com/ml-evs/matador",
    author="Matthew Evans",
    author_email="matador@ml-evs.science",
    maintainer="Matthew Evans",
    maintainer_email="matador@ml-evs.science",
    license="MIT",
    packages=find_packages(),
    python_requires=">=3.7",
    install_requires=requirements,
    scripts=[script for script in glob("scripts/*") if os.path.isfile(script)],
    test_suite="tests",
    include_package_data=True,
    setup_requires=["setuptools>=42"],
    extras_require=extra_requirements,
    classifiers=[
        "Development Status :: 4 - Beta",
        "Intended Audience :: Science/Research",
        "License :: OSI Approved :: MIT License",
        "Programming Language :: Python :: 3",
        "Programming Language :: Python :: 3.7",
        "Programming Language :: Python :: 3.8",
        "Programming Language :: Python :: 3.9",
        "Programming Language :: Python :: 3.10",
        "Topic :: Scientific/Engineering",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Topic :: Scientific/Engineering :: Physics",
    ],
    entry_points={
        "console_scripts": [
            "matador = matador.cli.cli:main",
            "dispersion = matador.cli.dispersion:main",
            "run3 = matador.cli.run3:main",
        ]
    },
    zip_safe=False,
)