setup.py

# Copyright 2019 Google LLC
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#     https://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
# ==============================================================================
import io
import os
import setuptools

# https://packaging.python.org/guides/making-a-pypi-friendly-readme/
this_directory = os.path.abspath(os.path.dirname(__file__))
with io.open(os.path.join(this_directory, 'README.md'), encoding='utf-8') as f:
  long_description = f.read()

INSTALL_REQUIRES = [
    'absl-py',
    'numpy',
    'jax',
    'jaxlib',
    'flax',
    'jraph',
    'dataclasses',
    'einops',
    'ml_collections',
    'e3nn-jax',
    'dm-haiku',
    'optax',
]

setuptools.setup(
    name='jax-md',
    version='0.2.8',
    license='Apache 2.0',
    author='Google',
    author_email='jax-md-dev@google.com',
    install_requires=INSTALL_REQUIRES,
    url='https://github.com/google/jax-md',
    packages=setuptools.find_packages(),
    download_url = "https://pypi.org/project/jax-md/",
    project_urls={
        "Source Code": "https://github.com/google/jax-md",
        "Documentation": "https://arxiv.org/abs/1912.04232",
        "Bug Tracker": "https://github.com/google/jax-md/issues",
    },
    long_description=long_description,
    long_description_content_type='text/markdown',
    description='Differentiable, Hardware Accelerated, Molecular Dynamics',
    python_requires='>=3.9',
    classifiers=[
        'Programming Language :: Python :: 3.9',
        'Programming Language :: Python :: 3.10',
        'Programming Language :: Python :: 3.11',
        'License :: OSI Approved :: Apache Software License',
        'Operating System :: MacOS',
        'Operating System :: POSIX :: Linux',
        'Topic :: Software Development',
        'Topic :: Scientific/Engineering',
        'Intended Audience :: Science/Research',
        'Intended Audience :: Developers',
    ])