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Adding QE-7.3 in merlin codes #23

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merged 1 commit into from
Jul 3, 2024
Merged

Adding QE-7.3 in merlin codes #23

merged 1 commit into from
Jul 3, 2024

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mikibonacci
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Just adding new quantum ESPRESSO 7.3 which was recently installed in merlin cluster as PSI.

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mikibonacci commented Jul 3, 2024 •
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@unkcpz I have a question on the repository, maybe I can fix it in the same PR. the README seems incomplete and incorrect as the scripts folder is not present in the repo (which I think is replaced by gh_page?) and the instructions on verdi configure setup are not yet ported from the README of the old repo https://github.com/aiidateam/aiida-code-registry.

Is there a reason for that? thanks a lot! :)

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unkcpz commented Jul 3, 2024

(which I think is replaced by gh_page?)

True!

the instructions on verdi configure setup are not yet ported from the README of the old repo https://github.com/aiidateam/aiida-code-registry.

Which README? The readme does not have anything point to old repo I assume?

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unkcpz approved these changes Jul 3, 2024
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Thanks! @mikibonacci

merlin.psi.ch/cpu/codes/QuantumESPRESSO-7.0.yml
@@ -1,6 +1,6 @@
---
label: '{{ code_binary_name }}-7.0'
description: The code {{ code_binary_name }} of Quantum ESPRESSO compiled for daint-mc
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😄 good catch~!

@unkcpz unkcpz merged commit 1024325 into aiidateam:main Jul 3, 2024
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mikibonacci commented Jul 3, 2024 •
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Which README? The readme does not have anything point to old repo I assume?

Hi @unkcpz , I see that in the README of the old repo there are also instructions on how to setup a code in AiiDA via command line by referring to the deployed json file with all the computers/codes. I think this is very helpful for a lot of users

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unkcpz commented Jul 3, 2024

Yes, that is one reason aiida-core-registry is not archived. At the moment, configs of this repo don't support directly used with verdi computer setup.

@mikibonacci mikibonacci deleted the merlin/QE-7.3 branch July 4, 2024 16:13
mikibonacci added a commit to mikibonacci/aiida-resource-registry that referenced this pull request Jul 4, 2024
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Adding QE-7.3 in merlin codes. (aiidateam#23)
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