diff --git a/setup.py b/setup.py index 19d8938..6fe4229 100755 --- a/setup.py +++ b/setup.py @@ -1,19 +1,16 @@ #! /usr/bin/python -# PROPKA 3.1 -# -# -# setuptools installation of PROPKA 3.1 +# PROPKA 3 from setuptools import setup, find_packages -VERSION = "3.1.1" +VERSION = "3.2.0" -setup(name="PROPKA", - version=VERSION, - description="Heuristic pKa calculations with ligands", - long_description=""" +setup( + name="PROPKA", + version=VERSION, + description="Heuristic pKa calculations with ligands", long_description=""" 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. @@ -32,31 +29,25 @@ in publications: See http://propka.org/ for the PROPKA web server. """, - author="Jan H. Jensen", - author_email="jhjensen@chem.ku.dk", - license="LGPL v2.1", - url="http://propka.org", - keywords="science", - classifiers=[ - 'Development Status :: 6 - Mature', - 'Environment :: Console', - 'Intended Audience :: Science/Research', - 'License :: OSI Approved :: GNU Lesser General Public License v2 (LGPLv2)', - 'Operating System :: POSIX', - 'Programming Language :: Python', - 'Topic :: Scientific/Engineering :: Bio-Informatics', - 'Topic :: Scientific/Engineering :: Chemistry', - ], - packages=find_packages(exclude=['scripts']), - package_data = {'propka': ['*.dat', '*.cfg']}, - #scripts = ["scripts/propka31.py"], # use entry point below - entry_points = { - 'console_scripts': [ - 'propka31 = propka.run:main', - ], - }, - zip_safe=True, - python_requires='>=3.5', - tests_require=["pandas", "numpy"], - test_suite="tests", -) + author="Jan H. Jensen", + author_email="jhjensen@chem.ku.dk", + license="LGPL v2.1", + url="http://propka.org", + keywords="science", + classifiers=[ + 'Development Status :: 6 - Mature', + 'Environment :: Console', + 'Intended Audience :: Science/Research', + 'License :: OSI Approved :: GNU Lesser General Public License v2 (LGPLv2)', + 'Operating System :: POSIX', 'Programming Language :: Python', + 'Topic :: Scientific/Engineering :: Bio-Informatics', + 'Topic :: Scientific/Engineering :: Chemistry', + ], + packages=find_packages(exclude=['scripts']), + package_data={'propka': ['*.dat', '*.cfg']}, + entry_points={'console_scripts': ['propka31 = propka.run:main', ]}, + zip_safe=True, + python_requires='>=3.5', + tests_require=["pandas", "numpy"], + test_suite="tests", + )