https://github.com/deepmodeling/deepks-kit
Tip revision: a48f8582486d5f616318ff0638c938cb667f34b7 authored by Yixiao Chen on 31 January 2021, 23:50:32 UTC
support au in convert script
support au in convert script
Tip revision: a48f858
setup.py
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',
],
},
)