setup.py

from setuptools import setup, find_packages

setup(
    name = "colabfit-tools",
    version = "0.0.2",
    author = "ColabFit",
    description = ("A suite of tools for working with training datasets for interatomic potentials"),
    license = "BSD",
    keywords = "machine learning interatomic potentials",
    url = "http://colabfit.org",
    packages=find_packages(),
    # packages=[
    #     'colabfit.tools',
    #     'colabfit.tools.configuration_sets',
    #     'colabfit.tools.configuration',
    #     'colabfit.tools.converters',
    #     'colabfit.tools.dataset',
    #     'colabfit.tools.property_settings',
    #     'colabfit.tools.property',
    #     'colabfit.tools.transformations',
    # ],
    classifiers=[
        "Development Status :: 3 - Alpha",
        "Topic :: Utilities",
        "License :: OSI Approved :: BSD License",
    ],
    install_requires = [
        'ase',
        'h5py',
        'kim_property',
        'numpy',
        'tqdm',
        'markdown',
        'plotly',
        'pymongo',
        'biopython',
        'matplotlib',
        'django',
        'periodictable',
        'unidecode',
        'notebook',
    ],
)