Commit Graph

23 Commits

Author SHA1 Message Date
Nathan Baker
72c4950683 Remove Python 3.6 and 3.7 from more files. 2023-01-29 15:07:51 -08:00
Nathan Baker
74b8425234 Remove Python 3.7 support.
Make corresponding changes to other files (including a few that I
missed before).
2023-01-29 14:58:57 -08:00
IAlibay
f6f3c51c1c Update CI and docs for Python up to py311 2022-11-09 14:16:59 +00:00
IAlibay
b164c1db1a Adds python3.9 to CI 2020-11-18 01:27:41 +00:00
Oliver Beckstein
cb65c644c6 use versioneer for version management (#88)
- fix #87
- user versioneer for version management
   - use tag "vMAJOR.MINOR.PATCH" to indicate release number
   - exclude generated files from coverage;
      also exclude tests from coverage reporting;
      allow use of "# pragma: no cover" to exclude lines of code
      from coverage
   - configure coverage with entries in setup.cfg (removed
      commandline config from workflows/python-package.yml)
- related doc updates
   - make docs automatically use current version
      (docs use versioneer-based propka.__version__)
   - also added @IAlibay to authors (forgotten in previous
      PRs #84 and #85)
   - generate a sitemap (add sphinx_sitemap to requirements.txt)
- add test_version
   Note: Versioneer-generated version is “0-untagged” on the branch where
   it is tested so need to add it to a valid result.
2020-07-18 12:32:25 -07:00
Oliver Beckstein
aa68e3e6ce remove pandas dependency for tests
Tests do not require pandas but setup.py was still listing it.
2020-06-25 17:42:25 -07:00
Nathan Baker
11bc32e9fc Require Python 3.6+.
Fixes https://github.com/jensengroup/propka-3.1/pull/61#issuecomment-646190977
2020-06-19 07:21:05 -07:00
Nathan Baker
77286be67a Add Microsoft Windows to OS list.
Addresses https://github.com/jensengroup/propka-3.1/pull/61#discussion_r442365647
2020-06-19 06:52:06 -07:00
Nathan Baker
fb38d28f51 Add specific python versions to setup.py
Co-authored-by: Oliver Beckstein <orbeckst@gmail.com>
2020-06-19 06:46:36 -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
2909173caf Add missing *.json to package data list. 2020-06-17 15:31:16 -07:00
Nathan Baker
0c4979560d Change propka31 to propka32. 2020-06-17 15:25:50 -07:00
Nathan Baker
1d8fa2bbbe Update setup.py with 3.2.0 information. 2020-06-17 12:33:52 -07:00
Nathan Baker
73f0ce47af Replace pandas with numpy.testing
Addresses https://github.com/jensengroup/propka-3.1/pull/36#discussion_r429104797
2020-05-23 08:40:17 -07:00
Nathan Baker
ebddfa1f9f Add tests_require argument to setup.py.
Addresses https://github.com/jensengroup/propka-3.1/pull/36#discussion_r429100526

Since the tests_require argument is deprecated, I'm also leaving the
requirements.txt file to make sure the dependencies are captured in the
future.
2020-05-23 08:19:19 -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
393f5cee50 Rename "Tests" directory for consistency. 2020-05-21 10:39:08 -07:00
Nathan Baker
fa4a547f1f Enforce Python 3.*. 2020-05-21 10:29:45 -07:00
Nathan Baker
0fbaa6711f Update minor version number.
Addresses
https://github.com/jensengroup/propka-3.1/pull/29#discussion_r424575807
2020-05-16 17:06:28 -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
Mike Beachy
61bb875248 add test framework
- add the ability to run tests from the top level directory via
  'python setup.py test'
- translate runtest.py into a test that runs under this framework
- add a __main__ section to Tests/runtest.py and change its indent to 4
  spaces; make no other changes to this script
2014-02-22 17:51:04 -05:00
Oliver Beckstein
7008ed9f24 use pkg_resources to access bundled files
* egg file can remain zipped
* see http://peak.telecommunity.com/DevCenter/PythonEggs#accessing-package-resources
  for details
2013-07-25 11:40:50 -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