mobiusklein / brainpy

A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations
http://mobiusklein.github.io/brainpy
Apache License 2.0
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Update build CI to include Python 3.11 and 3.12 #9

Closed lukasz-migas closed 1 month ago

lukasz-migas commented 1 month ago

Updates CI script to build for Python 3.11 and 3.12 addressing #8

mobiusklein commented 1 month ago

Thank you. I'll tag a new version so these will be published shortly.

lukasz-migas commented 1 month ago

Awesome - thanks a lot!

Also thanks for making ms-peak-picker, ms-deisotope and brainpy :)

mobiusklein commented 1 month ago

I'm glad this work is useful to you. The MassLynx bindings in ms_deisotope were in part checked for correctness against the ones you had in ORIGAMI. I had a difficult time there proving I wasn't introducing a memory leak, comparing the Python API to the C/C++ API.