setup.py

# mmpdb - matched molecular pair database generation and analysis
#
# Copyright (c) 2015-2019, F. Hoffmann-La Roche Ltd.
#
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are
# met:
#
#    * Redistributions of source code must retain the above copyright
#      notice, this list of conditions and the following disclaimer.
#    * Redistributions in binary form must reproduce the above
#      copyright notice, this list of conditions and the following
#      disclaimer in the documentation and/or other materials provided
#      with the distribution.
#    * Neither the name of F. Hoffmann-La Roche Ltd. nor the names of
#      its contributors may be used to endorse or promote products
#      derived from this software without specific prior written
#      permission.
#
# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
# "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
# LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
# A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
# HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
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# LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
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from setuptools import setup

with open("README.md") as f:
    long_description = f.read()

setup(
    name="mmpdb",
    version="2.3-dev1",
    description="A package to identify matched molecular pairs and use them to predict property changes",
    author="Andrew Dalke",
    author_email="dalke@dalkescientific.com",
    maintainer="Christian Kramer",
    maintainer_email="rdkit-discuss@lists.sourceforge.net",
    long_description=long_description,
    long_description_content_type="text/markdown",
    url="https://github.com/rdkit/mmpdb",
    classifiers=[
        "Development Status :: 5 - Production/Stable",
        "Environment :: Console",
        "Intended Audience :: Science/Research",
        "Operating System :: Unix",
        "Programming Language :: Python :: 2",
        "Programming Language :: Python :: 3",
        "Topic :: Scientific/Engineering :: Chemistry",
        ],
    keywords="matched molecular pair, MMP, cheminformatics",
    
    packages=["mmpdblib", "mmpdblib.playhouse"],
    package_data={"mmpdblib": ["schema.sql", "create_index.sql", "drop_index.sql"]},
    scripts=["mmpdb"]
    )