Update PythonJob to 0.5.2 - #41
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The only doubt I have is, if setting python to 3.12 will break the current aiidalab environtment ... the rest is fine thank you @cpignedoli |
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Thanks @cpignedoli. Let's discuss tomorrow in person. |
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Correct @AndresOrtegaGuerrero I simply do not want to think about the <=3.9 era anymore |
edan-bainglass
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LGTM! Thanks @cpignedoli.
Reminder that we need to do the same for Vibro and Muon, both currently pinned to 0.2.5.
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If there are easy example calculations, I can do it @edan-bainglass . we check it today |
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So in Vibroscopy , I do not see any use of |
Thanks @AndresOrtegaGuerrero. Indeed, Vibro does not use it. Removed in aiidalab/aiidalab-qe-vibroscopy#184. As for Muons, I've tagged @mikibonacci in aiidalab/aiidalab-qe-muon#85. @AndresOrtegaGuerrero this is your repo, so if you're happy with this PR, kindly merge and release 🙂🙏 |
@edan-bainglass @AndresOrtegaGuerrero
Updates
aiida-pythonjobfrom 0.2.5 to 0.5.2 and adapts the PP workchain to the new typedoutputs_specAPI. The minimum Python version is raised to 3.12.Tested end-to-end with bulk silicon on a local AiiDAlab instance:
PpCalculationand two cube-resizingPythonJobprocesses finished successfullyruff check .andpip checkpassedPrepared with Codex assistance.