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setup.py
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
# HiPart is a program to analyze the electronic structure of molecules with
# fuzzy-atom partitioning methods.
# Copyright (C) 2007 - 2012 Toon Verstraelen <[email protected]>
#
# This file is part of HiPart.
#
# HiPart 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 3
# of the License, or (at your option) any later version.
#
# HiPart 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, see <http://www.gnu.org/licenses/>
#
#--
import glob
from numpy.distutils.core import setup, Extension
setup(
name='HiPart',
version='0.004',
description='HiPart is a tool to analyse molecular densities with the fuzzy atom partitioning',
author='Toon Verstraelen',
author_email='[email protected]',
url='http://molmod.ugent.be/code/',
packages = ['hipart', 'hipart.gint'],
package_dir = {'hipart': 'hipart'},
scripts=glob.glob("scripts/hi-*.py"),
license = "GPLv3",
ext_modules=[
Extension(
"hipart.llext",
["hipart/Lebedev-Laikov.F"]
),
Extension(
"hipart.ext",
["hipart/cubic_spline.c", "hipart/utils.c", "hipart/ext.pyf"]
),
Extension(
"hipart.gint.gint_ext",
glob.glob("hipart/gint/*.c") + ["hipart/gint/gint_ext.pyf"],
depends=glob.glob("hipart/gint/*.pyf.inc") +
glob.glob("hipart/gint/*.h") +
["hipart/gint/gaux.inc"]
),
],
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',
'Topic :: Science/Engineering :: Molecular Science'
],
)