setup.py

"""
Quanformer
Quanformer is a Python-based pipeline for generating conformers, preparing quantum mechanical (QM) calculations, and processing QM results for a set of molecules and their conformers.
"""
from setuptools import setup
import versioneer

short_description = __doc__.split("\n")

try:
    with open("README.md", "r") as handle:
        long_description = handle.read()
except: # lgtm [py/catch-base-exception]
    long_description = "\n".join(short_description[2:]),


setup(
    # Self-descriptive entries which should always be present
    name='quanformer',
    author='Victoria T. Lim',
    description=short_description[0],
    long_description=long_description,
    long_description_content_type="text/markdown",
    version=versioneer.get_version(),
    cmdclass=versioneer.get_cmdclass(),
    license='MIT',

    # Which Python importable modules should be included when your package is installed
    packages=['quanformer', "quanformer.tests"],

    # Optional include package data to ship with your package
    # Comment out this line to prevent the files from being packaged with your software
    # Extend/modify the list to include/exclude other items as need be
    # package_data={'quanformer': ["data/*.dat"]
    #              },

    author_email='limvt@uci.edu',
    url='https://quanformer.readthedocs.io/',
    # install_requires=[],              # Required packages, pulls from pip if needed; do not use for Conda deployment
    # platforms=['Linux',
    #            'Mac OS-X',
    #            'Unix',
    #            'Windows'],            # Valid platforms your code works on, adjust to your flavor
    # python_requires=">=3.5",          # Python version restrictions

    # Manual control if final package is compressible or not, set False to prevent the .egg from being made
    # zip_safe=False,

)