Update CI - Githubissues

matchms / ms2deepscore

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity

Apache License 2.0

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Update CI #130

Closed florian-huber closed 1 year ago

florian-huber commented 1 year ago

I would update the CI in a few points:

Move from Python 3.7 + 3.8 to Python 3.8 - 3.10
Include integration test with full workflow (includes conda/mamba install of rdkit), see also new scripts added in #129.

florian-huber commented 1 year ago

Just realised that rdkit is meanwhile on pypi (since summer 2022, but I missed this!). So integration test is now covered and CI was changed to 3.8 - 3.10 in #131 .