setup.py

# (C) 2018 OpenEye Scientific Software Inc. All rights reserved.
#
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# subject to these terms. OpenEye claims no rights to Customer's
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# NOT LIMITED TO, WARRANTIES OF MERCHANTABILITY, FITNESS FOR A
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from re import compile
from ast import literal_eval
from sys import argv, exit
from json import dumps
from setuptools import setup, find_packages, convert_path

# Requirements for torsion
requirements = ["OpenEye-orionplatform==0.1.14",
                "OpenEye-snowball==0.13.6",
                "numpy==1.16.0",
                "sh",
                "scipy"]

# Obtain version of cuberecord
_version_re = compile(r'__version__\s+=\s+(.*)')
version_file = convert_path("./torsion/__init__.py")
with open(version_file, 'rb') as f:
    version = str(literal_eval(_version_re.search(f.read().decode('utf-8')).group(1)))

if argv[-1] == "--requires":
    print(dumps(requirements))
    exit()


setup(
    name='torsional-strain',
    version=version,
    packages=find_packages(exclude=['tests/*', 'floes/*']),
    author='Pfizer Simulation and Modeling Sciences',
    author_email='brajesh.rai@pfizer.com',
    description='Torsional Profile Calculation',
    license='Other/Proprietary License',
    keywords='openeye cloud orion',
    include_package_data=True,
    install_requires=requirements,
    classifiers=[
        'Development Status :: Beta',
        'Intended Audience :: Science/Research',
        'Topic :: Scientific/Engineering :: Chemistry',
        'Programming Language :: Python :: 3.6',
    ]
)