Greg Landrum

The tests that are failing are very basic and are not connected to any recent changes. A lot of the failures seem to be connected with problems in translating exceptions,...

@yurivict I'd love to help you fix the your build configuration, but I have not been able to reproduce this on linux-based systems. I also have not managed to figure...

I think this was probably fixed in #7729 and should be in the 2024.03.6 release when it is available

Here's a simpler example that also uses on of the boost::python - generated vector proxies. First a "longer" vector (47 entries): ``` In [55]: m = Chem.MolFromSmiles('C'*50) In [56]: ps...

For cases like these where the C++ is returning a new data structure which is intended to be handed to, and owned by, Python, it probably would make sense to...

I think it would make sense to go ahead and add the CI job with this PR so that we can see how it works and how long it takes....

@MichelML What gets run during the CI builds is actually controlled by code. So you need to add another job in this file: https://github.com/rdkit/rdkit/blob/master/azure-pipelines.yml and then create a yml file...

Hi @whosayn I realized that we don't actually have any direct tests that the SMILES parser works in multiple threads. I just added this quick one together to the bottom...

Hi @whosayn I really like the improved reporting! I tried a general first test to see the impact of this change on the SMILES parsing: parsing 50K smiles without doing...

It sounds more like this is a problem in your local environment and the way you are calling cmake, not in the RDKit itself. If you share more informaiton about...