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setup.py
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setup.py
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#!/usr/bin/env python
#
# Generate UV-Vis spectra from electronic structure TDHF/TDDFT output files.
# Copyright (C) 2014 Li Research Group (University of Washington)
#
# 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 3 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, see <http://www.gnu.org/licenses/>.
"""Installation script for the ``uvspec`` package and ``uvspecgen`` script.
This installer also looks for the necessary dependencies including the
``cclib`` computational chemistry log file parsing library and the
``argparse`` and ``configparse`` modules. If these modules are not found, it
will perform these installations as well.
"""
from ez_setup import use_setuptools
use_setuptools()
from setuptools import setup, find_packages
from uvspec.version import get_version
version = get_version()
with open('README.rst') as f:
long_description = f.read()
setup(
name='uvspec',
version = version,
packages = find_packages(),
# automatic generation of the ``uvspecgen`` script
entry_points = {'console_scripts': ['uvspecgen = uvspec.generate:main']},
# package dependencies
install_requires = ['argparse', 'cclib>=1.0', 'configparser'],
# package metadata
description = 'Gaussian UV-Vis spectrum generation',
maintainer = 'Li Research Group',
maintainer_email = '[email protected]',
url = 'http://github.com/gaussiantoolkit/uvspecgen/',
license = 'http://www.gnu.org/licenses/gpl.html',
long_description = long_description,
)