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Support Python 3.11 (#5994)

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* 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
This commit is contained in:
Greg Landrum
2023-01-24 18:16:26 +01:00
committed by GitHub
parent 1dc268bf4a
commit 79e8295586
32 changed files with 208 additions and 54 deletions
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4
Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
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@@ -48,7 +48,7 @@ ScaffoldNetwork::ScaffoldNetworkParams *getBRICSParams() {
} // namespace
#ifdef RDK_USE_BOOST_SERIALIZATION
struct scaffoldnetwork_pickle_suite : python::pickle_suite {
struct scaffoldnetwork_pickle_suite : rdkit_pickle_suite {
static python::tuple getinitargs(
const RDKit::ScaffoldNetwork::ScaffoldNetwork &self) {
std::stringstream oss;
@@ -60,7 +60,7 @@ struct scaffoldnetwork_pickle_suite : python::pickle_suite {
};
};
#else
struct scaffoldnetwork_pickle_suite : python::pickle_suite {
struct scaffoldnetwork_pickle_suite : rdkit_pickle_suite {
static python::tuple getinitargs(
const RDKit::ScaffoldNetwork::ScaffoldNetwork &self) {
throw_runtime_error("Pickling of ScaffoldNetwork instances is not enabled");