Greg Landrum 9214d4becb 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

2023-02-23 05:01:12 +01:00

..

Alignment

Support Python 3.11 (#5994)

2023-02-23 05:01:12 +01:00

EigenSolvers

Run clang-format against cpp (#4358)

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

Optimizer

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

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

CMakeLists.txt

Cleanup some cmake dependencies (#3077)

2020-04-17 14:34:23 +02:00

Conrec.h

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

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

Matrix.h

Initial support for non-tetrahedral stereochemistry (#5084)

2022-05-20 09:07:16 +02:00

SquareMatrix.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

SymmMatrix.h

miscellaneous updates (#4284)

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

testConrec.cpp

make the catch tests build faster (#5284)

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

testMatrices.cpp

Modernize deprecated header inclusion (#3137)

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

Vector.h

fix doxygen comments (#5254)

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