pyfrsoc/setup.py at master · jinyuchem/pyfrsoc · GitHub

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from pathlib import Path

from setuptools import find_packages, setup

ROOT = Path(__file__).parent
README = (ROOT / "README.md").read_text(encoding="utf-8")
version_ns = {}
exec((ROOT / "pyfrsoc" / "_version.py").read_text(encoding="utf-8"), version_ns)

setup(
    name="pyfrsoc",
    version=version_ns["__version__"],
    author="Yu Jin",
    author_email="yjin@flatironinstitute.org",
    description="Python tools for first-principles spin-orbit coupling and zero-field splitting calculations",
    long_description=README,
    long_description_content_type="text/markdown",
    url="https://github.com/jinyuchem/pyfrsoc",
    project_urls={
        "Issues": "https://github.com/jinyuchem/pyfrsoc/issues",
    },
    packages=find_packages(),
    python_requires=">=3.10",
    classifiers=[
        "License :: OSI Approved :: MIT License",
        "Operating System :: OS Independent",
        "Programming Language :: Python :: 3",
        "Programming Language :: Python :: 3.10",
        "Programming Language :: Python :: 3.11",
        "Programming Language :: Python :: 3.12",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Topic :: Scientific/Engineering :: Physics",
        "Intended Audience :: Science/Research",
    ],
    install_requires=[
        "numpy",
        "scipy",
        "mpi4py",
    ],
)