setup.py

"""
PyGromos
The aim of the module is to bring Gromos to the Python3 World!
"""
import sys
from setuptools import setup, find_packages
import versioneer

# If you want to include the submodules GromosXX and Gromos++ pleas uncomment the lines in .gitmodules

short_description = __doc__.split("\n")

# from https://github.com/pytest-dev/pytest-runner#conditional-requirement
needs_pytest = {"pytest", "test", "ptr"}.intersection(sys.argv)
pytest_runner = ["pytest-runner"] if needs_pytest else []

try:
    with open("README.md", "r") as handle:
        long_description = handle.read()
except IOError:
    long_description = "\n".join(short_description[2:])


setup(
    # Self-descriptive entries which should always be present
    name="PyGromos",
    author="Benjamin J. Ries, Marc Lehner, Salome Rieder",
    author_email="bschroed@ethz.ch",
    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
    # Handled automatically by setuptools. Use 'exclude' to prevent some specific
    # subpackage(s) from being added, if needed
    packages=find_packages(),
    # Optional include package data to ship with your package
    # Customize MANIFEST.in if the general case does not suit your needs
    # Comment out this line to prevent the files from being packaged with your software
    include_package_data=True,
    # Allows `setup.py dev` to work correctly with pytest
    setup_requires=[] + pytest_runner,
    # Additional entries you may want simply uncomment the lines you want and fill in the data
    # url='http://www.my_package.com',  # Website
    # install_requires=["rdkit"],              # 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,
)