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#!/usr/bin/env
#
# CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
# Copyright (C) 2013-2022 Sebastian Wouters
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License along
# with this program; if not, write to the Free Software Foundation, Inc.,
# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
#
import os
import numpy as np
from glob import glob
from distutils.core import setup
from distutils.extension import Extension
from distutils.command.install_data import install_data
from Cython.Distutils import build_ext
def get_depends(dirname):
result = glob('%s/*.h' % dirname)
result += glob('%s/*.pxd' % dirname)
return result
setup(
name='CheMPS2',
version='1.8.12',
description='A spin-adapted implementation of DMRG for ab initio quantum chemistry',
author='Sebastian Wouters',
author_email='sebastianwouters@gmail.com',
download_url='https://github.com/SebWouters/CheMPS2',
license='GNU General Public License, version 2',
cmdclass={'build_ext': build_ext},
ext_modules=[
Extension("PyCheMPS2",
sources=['PyCheMPS2.pyx'],
depends=get_depends('.'),
libraries=['chemps2'],
include_dirs=[np.get_include()],
language="c++"),
],
classifiers=[
'Development Status :: 3 - Alpha',
'Environment :: Console',
'Intended Audience :: Science/Research',
'License :: OSI Approved :: GNU General Public License (GPL)',
'Operating System :: POSIX :: Linux',
'Programming Language :: Python :: 2',
'Programming Language :: Cython',
'Programming Language :: C++',
'Topic :: Science/Engineering :: Molecular Science'
],
)
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