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aiidateam / aiida-common-workflows

A repository for the implementation of common workflow interfaces across materials-science codes and plugins
https://aiida-common-workflows.readthedocs.io
MIT License
52 stars 31 forks source link

Wien2k implementation #313

Closed rubel75 closed 1 year ago

rubel75 commented 1 year ago

add WIEN2k implementation

bosonie commented 1 year ago

Thanks Oleg, @sphuber, @mbercx there are some modifications to do to this PR and also, in theory, it should wait a release of aiida-wien2k. However, we would like to take control our-self to the code and implement here what's missing. What is the best strategy? Can we resolve here the conflict and merge even if is not completed and then work on it in a separate branch?

sphuber commented 1 year ago

Since I cannot push to Oleg's repo, I have created a new branch and opened a PR (https://github.com/aiidateam/aiida-common-workflows/pull/314). I have fixed the conflicts and run pre-commit. If you want, we can merge that and then we can proceed working directly of off that.

mbercx commented 1 year ago

Closing as it is superseded by #314.