Commit Graph

12 Commits

Author SHA1 Message Date
Greg Landrum
ab152a4ed1 Switch over to using pytest to run the python tests (#5916)
* misc adaptations/modernizations
plus a few changes to allow pytest discovery

* get the recap unittests running

* pytest config updates

* all tests pass

* integrate the pytest stuff into ctest

* integrate Projects dir
better cmake integration

* ci build env updates

* ignore more files

* remove six.py

* cleanup UnitTestPandasTools

* cleanup pytest

* remove obsolete use of rdkit.six from doctests

* update release notes

* mysterious CI fix

* add conftest to remove some tests

* remove the old python-based testing infrastructure

---------

Co-authored-by: Ric <ricrogz@gmail.com>
2023-11-03 14:39:24 +01:00
Eisuke Kawashima
e2d07a26a3 refactor(python): replace deprecated unittest methods (#6304)
https://docs.python.org/3/library/unittest.html#deprecated-aliases
2023-07-14 07:51:15 +02:00
Ric
880a8e5725 Reformat Python code for 2023.03 release (#6294)
* run yapf

* run isort

---------

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2023-04-28 06:53:56 +02:00
Ric
58d135a874 Reformat C/C++ code ahead of 2023.03 release (#6295)
* format files

* format template files too
2023-04-28 04:42:35 +02:00
Ric
70c01ac4be fix paths (#3504) 2020-10-17 04:29:09 +02:00
gedeck
e9af48ffd7 Issue1071/yapf (#1078)
* Issue #1071: add yapf configuration file

* yapf formatting of Code directory

* yapf formatting of Contrib directory

* yapf formatting of Data directory

* yapf formatting of Docs directory

* yapf formatting of External directory

* yapf formatting of Projects directory

* yapf formatting of Regress directory

* yapf formatting of Scripts directory

* yapf formatting of Web directory

* yapf formatting of rdkit directory
2016-09-23 04:58:46 +02:00
Sereina Riniker
d54a35c8b4 option to build Contrib with RDKit added 2014-04-08 09:38:45 +02:00
Sereina Riniker
d333b047e4 ConformerParser updated 2014-04-08 09:03:32 +02:00
Sereina Riniker
56cd8e89fb ConformerParser updated 2014-04-07 17:02:32 +02:00
Sereina Riniker
b3a2a6fffb ConformerParser updated 2014-04-07 15:03:42 +02:00
Sereina Riniker
6c0d7ec564 ConformerParser updated 2014-04-07 13:54:11 +02:00
Sereina Riniker
6a67bb81d9 ConformerParser moved to Contrib 2014-04-07 12:59:13 +02:00