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Adding support for orm.Containerized codes #617

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merged 4 commits into from
Jul 5, 2024

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@mikibonacci mikibonacci commented Jul 4, 2024

This is obtained using the AiidaCodeSetup().code_setup attribute.

I am not sure is the better way, as we should also provide the possibility to change the image_name and the engine_command via the GUI. However, I think that for now this is acceptable, as the containerized codes are mainly
set up by using the information on the aiida-resource-registry repo. Actually, it is a really new thing and for now only the phonopy@merlin-cpu is defined.

This is obtained using the AiidaCodeSetup().code_setup attribute.
I am not sure is the right way, as we should also provide the possibility
to change the `image_name` and the `engine_command` via the GUI.
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codecov bot commented Jul 4, 2024

Codecov Report

Attention: Patch coverage is 71.42857% with 2 lines in your changes missing coverage. Please review.

Project coverage is 83.62%. Comparing base (d8b7e71) to head (774a2a2).

Files Patch % Lines
aiidalab_widgets_base/computational_resources.py 71.42% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #617      +/-   ##
==========================================
- Coverage   83.65%   83.62%   -0.03%     
==========================================
  Files          16       16              
  Lines        3511     3517       +6     
==========================================
+ Hits         2937     2941       +4     
- Misses        574      576       +2     
Flag Coverage Δ
python-3.10 83.62% <71.42%> (-0.03%) ⬇️
python-3.9 83.66% <71.42%> (-0.03%) ⬇️

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@unkcpz unkcpz left a comment

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Thanks @mikibonacci, some minor requests.

aiidalab_widgets_base/computational_resources.py Outdated Show resolved Hide resolved
aiidalab_widgets_base/computational_resources.py Outdated Show resolved Hide resolved
mikibonacci and others added 3 commits July 5, 2024 11:12
codes -> code

Co-authored-by: Jusong Yu <jusong.yeu@gmail.com>
…esources.py


Using  orm.AbstractCode instead of  (orm.InstalledCode, orm.ContainerizedCode), so we automatically provide support for all the Code classes

Co-authored-by: Jusong Yu <jusong.yeu@gmail.com>
there was still one `codes` left behind
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Thanks!

@unkcpz unkcpz merged commit 6075e7c into aiidalab:master Jul 5, 2024
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@danielhollas danielhollas added the enhancement New feature or request label Jul 5, 2024
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3 participants