Greg Landrum 79e8295586 Support Python 3.11 (#5994) ...

* remove some more deprecated numpy stuff

* workaround for changes to random.shuffle in python 3.11

* fix pickling of rdkit mols in python 3.11

* add py311 build to CI

* update py311 CI

* remove qt for py311 for the moment

* only use the new code with pyversion >=3.11

* use the new logic for all pickle_suites

* need to work with older py too

2023-01-24 18:16:26 +01:00

..

testData

- initial work to put the Trajectory code into a separate object

2016-05-09 19:05:15 +01:00

Wrap

Support Python 3.11 (#5994)

2023-01-24 18:16:26 +01:00

catch_tests.cpp

make the catch tests build faster (#5284)

2022-05-17 04:39:33 +02:00

CMakeLists.txt

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

Grid3D.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

GridUtils.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

GridUtils.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

point.cpp

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

point.h

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00

testGrid.cpp

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

testTransforms.cpp

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

Transform2D.cpp

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

Transform2D.h

2ddrawenhancements2931 (#2979)

2020-03-10 17:33:59 +01:00

Transform3D.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

Transform3D.h

Transform3d documentation (#4997)

2022-02-10 08:03:10 +01:00

Transform.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

UniformGrid3D.cpp

clang-tidy: readability-simplify-boolean-expr (#4639)

2022-03-17 13:50:50 +01:00

UniformGrid3D.h

fix doxygen comments (#5254)

2022-07-11 13:55:35 +02:00

Utils.h

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00