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aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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Release `v4.4.0` #951

Closed mbercx closed 11 months ago

mbercx commented 1 year ago

@sphuber would be good to do the release soon, since CI pipelines downstream are failing due to the pydantic bug.

sphuber commented 1 year ago

Sure, I was just waiting for a reply to this comment: https://github.com/aiidateam/aiida-quantumespresso/pull/756#issuecomment-1575544808 i.e. did you want to merge that parse refactor before the release?

mbercx commented 1 year ago

Sure, I was just waiting for a reply to this comment: #756 (comment) i.e. did you want to merge that parse refactor before the release?

I see! I missed that comment. It would be nice to get #756 merged for sure, #640 as well. For the latter I've added a full tutorial, as well as a new tool for passing magnetic configurations that I rather like. Maybe you can have a closer look at reviewing the final changes in #640, and I'll look at #756 to see if there is anything critical and open an issue for leftover points so we don't lose track of them.

mbercx commented 11 months ago

@sphuber I think all features we wanted to include in the release are now merged, so I updated the PR. Ready for review!