Anna Brünisholz 3a8199e4ca Numpy 2 Support (#7531) ...

* facilitate numpy 2.0 support

* so that all tests run smoothly

* not yet ready for this

* w/ casting to bool

* remove formatting changes from this PR

2024-06-19 07:54:50 +02:00

..

Avalon

initial addition of avalontoolkit support

2011-12-23 06:17:39 +00:00

Chem

Numpy 2 Support (#7531)

2024-06-19 07:54:50 +02:00

DataManip

Unset executable flag (#2833)

2019-12-19 08:29:32 +01:00

DataStructs

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

Dbase

remove the broken Dbase.DbReport module (#7227)

2024-03-15 20:50:47 -04:00

DistanceGeometry

initial set of changes introducing python3 support

2014-06-17 18:26:41 +02:00

ForceField

initial set of changes introducing python3 support

2014-06-17 18:26:41 +02:00

Geometry

initial set of changes introducing python3 support

2014-06-17 18:26:41 +02:00

ML

remove deprecated packages from rdkit.ML (#7107)

2024-01-30 16:57:59 +01:00

Numerics

initial set of changes introducing python3 support

2014-06-17 18:26:41 +02:00

SimDivFilters

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

sping

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

utils

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

VLib

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

__init__.py

Chemical drawings should be automatically enabled on Colab (#5868)

2022-12-16 12:41:44 +01:00

CMakeLists.txt

Run installed tests if applicable (#7325)

2024-04-03 06:46:19 +02:00

conftest.py

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

pytest.ini

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

RDConfig.py

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

RDLogger.py

Sanitize parameter for LoadSDF (#7019) (#7020)

2024-02-04 06:40:01 +01:00

RDRandom.py

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

TestRunner.py

Switch over to using pytest to run the python tests (#5916)

2023-11-03 14:39:24 +01:00

UnitTestLogging.py

fix deprecation warning (#5723)

2022-11-03 16:31:14 +01:00