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Updating README and config files #24

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merged 13 commits into from
Jul 4, 2024
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@mikibonacci mikibonacci commented Jul 4, 2024

Adding phonopy@merlin-cpu and some readme update.

@mikibonacci mikibonacci changed the title Adding the old verdi computer setup --config ... instructions Updating README and config files Jul 4, 2024
@mikibonacci mikibonacci marked this pull request as ready for review July 4, 2024 16:29
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mikibonacci commented Jul 4, 2024

Hi @unkcpz , the PR os ready ( I have not write access, so ask you to check).
However, I still need to update json schema to accept also the containerized keys.

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Thanks @mikibonacci! Just a minor request. I'll change and merge it so you can test it tomorrow. The repo is still partially experimental state so we can make changes after.

merlin.psi.ch/cpu/codes/phonopy-2.20.0.yml Outdated Show resolved Hide resolved
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@unkcpz unkcpz merged commit c6e1419 into aiidateam:main Jul 4, 2024
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Thanks a lot @unkcpz !

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unkcpz commented Jul 4, 2024

The list should be updated so you can test in QeApp.
I was too rush and didn't check the pre-commit was failed. I'll quickly fix it.

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Yeah actually I already tested and containerized codes are not currently supported. However, I solved this in a PR to the aiidalab-widget-base, as the code setup is done there. With the PR everything works and we can define containerized codes in the registry

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