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9cd0da8ff3ff851ac0ab7c5bb428a1f8df328e58
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24 Commits

Author SHA1 Message Date
Nathan Baker
9cd0da8ff3 Clean up README instructions. 
Remove references to setuptools and add some additional fixes.

Addresses https://github.com/jensengroup/propka-3.1/pull/61#discussion_r442357797
 2020-06-19 06:39:07 -07:00
Nathan Baker
73e956f141 Add description of PROPKA versions. 
Implements suggestion https://github.com/jensengroup/propka-3.1/pull/61#discussion_r442352878
 2020-06-19 06:28:01 -07:00
Nathan Baker
6b9f01a7c3 Standardize version references to "PROPKA 3". 
Partially addresses https://github.com/jensengroup/propka-3.1/pull/61#pullrequestreview-433445231
 2020-06-19 06:24:40 -07:00
Nathan Baker
18368b456a Remove setuptools discussion 
Co-authored-by: Oliver Beckstein <orbeckst@gmail.com>
 2020-06-18 09:53:51 -07:00
Nathan Baker
75057fbfef Remove specific version number 
Co-authored-by: Oliver Beckstein <orbeckst@gmail.com>
 2020-06-18 09:53:17 -07:00
Nathan Baker
7a25ec6598 Update executable script name. 
Changed script name to propka3 based on https://github.com/jensengroup/propka-3.1/pull/61#discussion_r442326049

Updated additional information in setup.py
 2020-06-18 08:57:12 -07:00
Nathan Baker
a2196cdc6f Consolidate documentation. 
Addresses https://github.com/jensengroup/propka-3.1/pull/61#discussion_r442016279.
 2020-06-18 08:19:22 -07:00
Nathan Baker
0c4979560d Change propka31 to propka32. 2020-06-17 15:25:50 -07:00
Nathan Baker
54294684b0 Remove broken links from README.md. 2020-06-17 13:22:17 -07:00
Nathan Baker
e8576fb4f3 Remove specific 3.1 version information. 
Except for name of script `propka31`; will handle that in another commit.
 2020-06-17 13:12:09 -07:00
Nathan Baker
a00617e7a5 Convert "DOI" to lower case 2020-05-23 13:04:41 -07:00
Nathan Baker
a647b80ae3 Add DOIs to references 
Make life easier for people.
 2020-05-23 11:47:00 -07:00
Nathan Baker
48f69eb544 Support Python 3.5 and higher. 
See https://github.com/jensengroup/propka-3.1/pull/36#discussion_r429094884
 2020-05-22 20:41:59 -07:00
Nathan Baker
f13d3d8121 PROPKA testing working with pytest. 2020-05-21 15:50:23 -07:00
Nathan Baker
e9a88bee4b Restore Tests/runtest.py. 
Also update README.md to document the existence of multiple tests.
 2020-05-18 16:23:39 -07:00
Nathan Baker
61c200c3f4 Remove duplicate tests. 2020-05-16 18:18:15 -07:00
Oliver Beckstein
9ebc76bcdc 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
 2018-03-19 22:34:22 -07:00
Oliver Beckstein
12e4eeabd8 added INSTALL and fixed markup in README 2013-07-25 12:01:09 -07:00
Oliver Beckstein
b928c18bab Re-packaged with setuptools for standard installation 
* 'python setup.py install' will install
  - a package 'propka' (which contains everything that 'Source' contained
    in the original distribution)
  - an executable script 'propka31' (which is identical to the original
    'propka.py' script but it is automatically generated via the setuptools
    mechanism; it uses propka.run.main().
* 'pip install' will also work
* the README.md file was changed to reflect the alterations
* metadata in the setup.py file was added

NOTE: The licence is still unclear!
 2013-07-25 11:14:44 -07:00
Jimmy Charnley Kromann, lat13
2aaf2d3a48 character update 2012-11-19 18:39:50 +01:00
Jimmy Charnley Kromann, lat13
62c02fc0a5 little update 2012-11-19 18:38:30 +01:00
Jimmy Charnley Kromann, lat13
6886db9697 unittesting and readme update 2012-11-19 18:36:24 +01:00
Jimmy Charnley Kromann
d882a2f5d1 downloaded from propka.ki.ku.dk 2012-11-15 17:47:47 +01:00
Jimmy Charnley Kromann
57be97bf6b Initial commit 2012-10-31 08:16:12 -07:00