setup.py

#!/usr/bin/env python
from setuptools import setup, find_packages

setup(
    name="pyDFTutils",
    version="0.1.19",
    description="utils for DFT/TB calculation",
    author="Xu He",
    author_email="mailhexu@gmail.com",
    license="GPLv3",
    packages=find_packages(),
    install_requires=[
        "numpy",
        "matplotlib",
        "scipy",
        "ase",
        "spglib",
        "phonopy",
        "pathos",
    ],
    scripts=[
        "scripts/view_pos_info.py",
        "scripts/plotldos.py",
        "scripts/plotpdos.py",
        "scripts/plotphonopy.py",
        "scripts/xvtovasp.py",
        "scripts/octainfo.py",
        "scripts/predict_gap.py",
        "scripts/mlrelax.py",
        "scripts/mlphonon.py",
        "scripts/build_supercell.py",
        "scripts/plot_siesta_dos.py",
        "scripts/get_siesta_bandgap.py",
        "scripts/gen_primitive.py",
        "scripts/dump_hist.py"
    ],
    classifiers=[
        "Development Status :: 3 - Alpha",
        "Programming Language :: Python :: 3",
        "Operating System :: OS Independent",
        "Intended Audience :: Science/Research",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Topic :: Scientific/Engineering :: Physics",
        #'License :: OSI Approved :: BSD License',
        #'License :: OSI Approved :: GPLv3 License',
    ],
)