modernized installation procedure

- set VERSION to 3.1.0 (introduce a patch level 0 so that it becomes
  easier to publish packages with small fixes, eg for installation)
- got rid of ancient ez_install: just use pip
- updated README and INSTALL
- updated classifiers in setup.py (license: LGPL v2.1 and other meta data);
  updated URL to point to http://propka.org because unlike http://propka.ki.ku.dk
  it is not completely dead and has a link to the pdb2pqr propka server as well
  as the GitHub page
This commit is contained in:
Oliver Beckstein
2017-04-12 14:50:29 -07:00
committed by Matvey Adzhigirey
parent 5fbbdd4868
commit 9ebc76bcdc
6 changed files with 23 additions and 290 deletions

22
setup.py Normal file → Executable file
View File

@@ -1,13 +1,12 @@
#! /usr/bin/python
# PROPKA 3.1
#
#
# setuptools installation of PROPKA 3.1
import ez_setup
ez_setup.use_setuptools()
from setuptools import setup, find_packages
VERSION = "3.1"
VERSION = "3.1.0"
setup(name="PROPKA",
version=VERSION,
@@ -31,14 +30,23 @@ in publications:
residues in empirical pKa predictions." Journal of Chemical Theory
and Computation 7, no. 2 (2011): 525-537.
See http://propka.ki.ku.dk/ for the PROPKA web server,
using the tutorial http://propka.ki.ku.dk/~luca/wiki/index.php/PROPKA_3.1_Tutorial .
See http://propka.org/ for the PROPKA web server.
""",
author="Jan H. Jensen",
author_email="jhjensen@chem.ku.dk",
license="",
url="http://propka.ki.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