setup.py

import re

from setuptools import find_packages, setup

INIT_FILE = "skipatom/__init__.py"

with open(INIT_FILE) as fid:
    file_contents = fid.read()
    match = re.search(r"^__version__\s?=\s?['\"]([^'\"]*)['\"]", file_contents, re.M)
    if match:
        version = match.group(1)
    else:
        raise RuntimeError("Unable to find version string in %s" % INIT_FILE)

packages = find_packages(
    exclude=(
        "tests",
        "demos",
        "data",
        "resources",
        "bin",
        "out",
    )
)

setup(
    name="skipatom",
    version=version,
    description="SkipAtom, Distributed representations of atoms, inspired by the Skip-gram model.",
    long_description="SkipAtom is an approach for creating distributed representations of atoms, for use in Machine "
    "Learning contexts. It is based on the Skip-gram model used widely in "
    "Natural Language Processing.",
    license="MIT",
    classifiers=[
        "Development Status :: 5 - Production/Stable",
        "Intended Audience :: Developers",
        "Topic :: Scientific/Engineering :: Artificial Intelligence",
        "License :: OSI Approved :: MIT License",
        "Programming Language :: Python :: 3.6",
    ],
    url="http://github.com/lantunes/skipatom",
    author="Luis M. Antunes",
    author_email="lantunes@gmail.com",
    packages=packages,
    keywords=[
        "machine learning",
        "materials science",
        "materials informatics",
        "distributed representations",
        "chemistry",
    ],
    python_requires=">=3.6",
    install_requires=["numpy >= 1.18.5"],
    extras_require={
        "training": [
            "pymatgen >= 2021.2.8.1",
            "pandas >= 1.1.5",
            "tensorflow == 2.13",
            "tqdm >= 4.61.1",
        ]
    },
    entry_points={
        "console_scripts": [
            "create_cooccurrence_pairs = skipatom.create_cooccurrence_pairs:main",
            "create_skipatom_embeddings = skipatom.create_skipatom_embeddings:main",
            "create_skipatom_training_data = skipatom.create_skipatom_training_data:main",
        ],
    },
)