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aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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✨ Add the XML schema for Quantum ESPRESSO v7.3.1 `pw.x` #1040

Closed mbercx closed 2 months ago

mbercx commented 4 months ago

@npaulish could you give this a spin for a small test system and send me the files? :))

mbercx commented 4 months ago

@Minotakm I've added you to the repo as a collaborator. Once you accept, you can review this PR so you understand how to add support for new QE versions.

mbercx commented 4 months ago

Almost, forgot to regenerate pytest regression file to latest (more compact) test files.

mbercx commented 4 months ago

Ok, fully ready for review now 👍

rikigigi commented 2 months ago

This works also for me, is it ready to be merged?

mbercx commented 2 months ago

Apologies @rikigigi, seems we forgot to finalise this in the end. Let me rebase and get it merged!

rikigigi commented 2 months ago

thank you! :-)