Greg Landrum
Greg Landrum
FWIW: I also noticed intermittent crashes in the new tests when running things on Linux yesterday. There’s definitely something wrong there
Given that I don’t think the mutex could cause an intermittent thing like this, i fully agree
The test is triggering some other bit of thread-unsafeness
@bp-kelley in most other parts of the RDKit we incorporate third-party code by having cmake grab the code at configure time. Is there a particular reason to add this directly...
> @greglandrum feels a bit overkill for two files, but if we decide to do this at configure time, should they be in RDGeneral or the SimPicker? I'm not insisting,...
> @greglandrum I've noticed that the CI isn't running here, any idea why? It’s running now; might have been blocked behind a other run. We only get 10 (I think)...
> Let me know if you want me to actually put this in external, it seemed silly to have a separate library for this functionality but I could make it...
`MolToSmiles()` actually does take a const ROMol as an argument, so it's reasonable to expect that it would be safe to call it on the same molecule from multiple threads....
I'm pretty sure that the substructure matching code is thread safe (and we do test that). Recursive queries do require modification to the underlying query atoms, but the SSS code...
Hi @wopozka : this got lost in the end-of-year rush. I will try to take a look this week.