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setup.py
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setup.py
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# -*- coding: utf-8 -*-
# BFit - python program that fits a convex sum of
# positive basis functions to any probability distribution. .
#
# Copyright (C) 2020 The BFit Development Team.
#
# This file is part of BFit.
#
# BFit 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.
#
# BFit 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/>
#
# ---
"""Setup and Install Script."""
import os
from setuptools import setup
def get_version_info():
"""Read __version__ and DEV_CLASSIFIER from version.py, using exec, not import."""
fn_version = os.path.join("bfit", "_version.py")
if os.path.isfile(fn_version):
myglobals = {}
with open(fn_version, "r") as f:
exec(f.read(), myglobals) # pylint: disable=exec-used
return myglobals["__version__"], myglobals["DEV_CLASSIFIER"]
return "0.0.0.post0", "Development Status :: 2 - Pre-Alpha"
def get_readme():
"""Load README.rst for display on PyPI."""
with open('README.md') as fhandle:
return fhandle.read()
VERSION, DEV_CLASSIFIER = get_version_info()
setup(
name="qc-bfit",
version=VERSION,
description="BFit Package",
# description="Curve fitting algorithms for fitting basis-set functions to probabiity "
# "distributions.",
long_description=get_readme(),
long_description_content_type="text/markdown",
url="https://github.com/theochem/bfit",
license="GNU General Public License v3.0",
author="QC-Devs Community",
author_email="qcdevs@gmail.com",
package_dir={"bfit": "bfit"},
packages=["bfit", "bfit.test"],
install_requires=[
"numpy>=1.18.5", "scipy>=1.5.0", "pytest>=5.4.3", "sphinx>=2.3.0", "matplotlib>=3.2.0",
"numpydoc", "sphinx_copybutton", "sphinx-autoapi", "nbsphinx", "sphinx_rtd_theme"
],
package_data={
# If any package contains *.slater files, include them:
'bfit': ['data/*/*.slater', 'data/*/*.cat', 'data/*/*.an', 'data/*/*.nwchem', 'data/ygbs'],
'bfit.test': ['data/*/*.slater', 'data/*/*.cat', 'data/*/*.an', 'data/*/*.nwchem']
},
include_package_data=True,
classifiers=[
'Development Status :: 0 - Released',
'Environment :: Console',
'License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)',
'Operating System :: POSIX :: Linux',
'Programming Language :: Python :: 3',
'Topic :: Scientific/Engineering :: Physics',
'Topic :: Scientific/Engineering :: Chemistry',
'Intended Audience :: Science/Research',
],
)