import pathlib import setuptools here = pathlib.Path(__file__).parent.resolve() readme = (here / 'README.md').read_text(encoding='utf-8') # did not include torch and pyscf here install_requires=['numpy', 'paramiko', 'ruamel.yaml'] setuptools.setup( name="deepks", use_scm_version={'write_to': 'deepks/_version.py'}, setup_requires=['setuptools_scm'], author="Yixiao Chen", author_email="yixiaoc@princeton.edu", description="DeePKS-kit: generate accurate (self-consistent) energy functionals", long_description=readme, long_description_content_type="text/markdown", packages=setuptools.find_packages(include=['deepks', 'deepks.*']), classifiers=[ "Programming Language :: Python :: 3.7", ], keywords='deepks DeePKS-kit', install_requires=install_requires, python_requires=">=3.7", entry_points={ 'console_scripts': [ 'deepks=deepks.main:main_cli', 'dks=deepks.main:main_cli', ], }, )