1import versioneer 2from setuptools import setup, find_packages 3 4with open("README.md", "r") as fh: 5 long_description = fh.read() 6 7with open("README.md", "r") as fh: 8 long_description = fh.read() 9 10setup( 11 name='geometric', 12 description='Geometry optimization for quantum chemistry', 13 url='https://github.com/leeping/geomeTRIC', 14 author='Lee-Ping Wang, Chenchen Song', 15 packages=find_packages(), 16 package_data={'': ['*.ini']}, 17 include_package_data=True, 18 long_description=long_description, 19 long_description_content_type="text/markdown", 20 entry_points={'console_scripts': [ 21 'geometric-optimize = geometric.optimize:main', 22 ]}, 23 install_requires=[ 24 'numpy>=1.11', 25 'networkx', 26 'six', 27 ], 28 tests_require=[ 29 'pytest', 30 'pytest-cov', 31 ], 32 version=versioneer.get_version(), 33 cmdclass=versioneer.get_cmdclass(), 34 classifiers=[ 35 'Development Status :: 4 - Beta', 36 'Intended Audience :: Science/Research', 37 'Programming Language :: Python :: 2.7', 38 'Programming Language :: Python :: 3', 39 ], 40 zip_safe=True, 41) 42