import setuptools

with open("README.md", "r") as fin:

    long_description = fin.read()

if __name__ == "__main__":

    setuptools.setup(

        name="torchdrug",

        description="A powerful and flexible machine learning platform for drug discovery",

        long_description=long_description,

        long_description_content_type="text/markdown",

        url="https://torchdrug.ai/",

        author="TorchDrug Team",

        version="0.2.1",

        license="Apache-2.0",

        keywords=["deep-learning", "pytorch", "drug-discovery"],

        packages=setuptools.find_packages(),

        package_data={

            "torchdrug": [

                "layers/functional/extension/*.h",

                "layers/functional/extension/*.cuh",

                "layers/functional/extension/*.cpp",

                "layers/functional/extension/*.cu",

                "utils/extension/*.cpp",

                "utils/template/*.html",

            ]

        },

        test_suite="nose.collector",

        install_requires=[

            "torch>=1.8.0",

            "torch-scatter>=2.0.8",

            "torch-cluster>=1.5.9",

            "decorator",

            "numpy>=1.11",

            "rdkit-pypi>=2020.9",

            "matplotlib",

            "tqdm",

            "networkx",

            "ninja",

            "jinja2",

            "lmdb",

            "fair-esm",

        ],

        python_requires=">=3.7,<3.11",

        classifiers=[

            "Development Status :: 4 - Beta",

            'Intended Audience :: Developers',

            'Intended Audience :: Science/Research',

            "License :: OSI Approved :: Apache Software License",

            'Topic :: Scientific/Engineering :: Mathematics',

            'Topic :: Scientific/Engineering :: Artificial Intelligence',

            'Topic :: Software Development :: Libraries',

            "Programming Language :: Python :: 3",

        ],

    )