Julianus Pfeuffer

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I am not sure it chokes because the wheel was already built. It probably chokes because it tries to build the wheel again but with the setup.py instructions which are...

Depending on if cibuildwheel reuses the build folder you might want to build (lib)Openms before, install it globally and then run the CMake part for pyopenms triggered via setup.py.

My plan was always to use the results of your thousands of runs to learn a simple regression model for each step based on file size and or number of...

Well, yes, but I wasnt talking about those easy things. Of course you can add smaller labels for those.

That's why I said learning from your results..

All this information is available when starting a run..

Would be a unique and potentially publishable feature of the pipeline. There is still the retry functionality if the resources were not enough. But I assume there should be some...

I think we cannot predict CPU usage. We need to know from the implementation if it benefits from multiple cores. Depending on the implementation multiple cores also means a bit...

Regarding scan number mismatch: do we not have a scan ID that we could use? Did you run MQ on the tdf or on the converted mzML?