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Update setup.py with 3.2.0 information.

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Nathan Baker
2020-06-17 12:33:52 -07:00
parent 616540ebd6
commit 1d8fa2bbbe
1 changed files with 29 additions and 38 deletions
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67
setup.py
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@@ -1,19 +1,16 @@
#! /usr/bin/python #! /usr/bin/python
# PROPKA 3.1 # PROPKA 3
#
#
# setuptools installation of PROPKA 3.1
from setuptools import setup, find_packages from setuptools import setup, find_packages
VERSION = "3.1.1" VERSION = "3.2.0"
setup(name="PROPKA", setup(
version=VERSION, name="PROPKA",
description="Heuristic pKa calculations with ligands", version=VERSION,
long_description=""" description="Heuristic pKa calculations with ligands", long_description="""
PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0) and PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0) and
protein-ligand complexes (version 3.1) based on the 3D structure. protein-ligand complexes (version 3.1 and later) based on the 3D structure.
For proteins without ligands both version should produce the same result. For proteins without ligands both version should produce the same result.
@@ -32,31 +29,25 @@ in publications:
See http://propka.org/ for the PROPKA web server. See http://propka.org/ for the PROPKA web server.
""", """,
author="Jan H. Jensen", author="Jan H. Jensen",
author_email="jhjensen@chem.ku.dk", author_email="jhjensen@chem.ku.dk",
license="LGPL v2.1", license="LGPL v2.1",
url="http://propka.org", url="http://propka.org",
keywords="science", keywords="science",
classifiers=[ classifiers=[
'Development Status :: 6 - Mature', 'Development Status :: 6 - Mature',
'Environment :: Console', 'Environment :: Console',
'Intended Audience :: Science/Research', 'Intended Audience :: Science/Research',
'License :: OSI Approved :: GNU Lesser General Public License v2 (LGPLv2)', 'License :: OSI Approved :: GNU Lesser General Public License v2 (LGPLv2)',
'Operating System :: POSIX', 'Operating System :: POSIX', 'Programming Language :: Python',
'Programming Language :: Python', 'Topic :: Scientific/Engineering :: Bio-Informatics',
'Topic :: Scientific/Engineering :: Bio-Informatics', 'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Scientific/Engineering :: Chemistry', ],
], packages=find_packages(exclude=['scripts']),
packages=find_packages(exclude=['scripts']), package_data={'propka': ['*.dat', '*.cfg']},
package_data = {'propka': ['*.dat', '*.cfg']}, entry_points={'console_scripts': ['propka31 = propka.run:main', ]},
#scripts = ["scripts/propka31.py"], # use entry point below zip_safe=True,
entry_points = { python_requires='>=3.5',
'console_scripts': [ tests_require=["pandas", "numpy"],
'propka31 = propka.run:main', test_suite="tests",
], )
},
zip_safe=True,
python_requires='>=3.5',
tests_require=["pandas", "numpy"],
test_suite="tests",
)