JuDFTteam / aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
https://aiida-fleur.readthedocs.io
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Changes necessary for aiida-core 2.0 #121

Closed janssenhenning closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #121 (0ea67d6) into develop (327c41c) will decrease coverage by 0.08%. The diff coverage is 83.33%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #121      +/-   ##
===========================================
- Coverage    64.31%   64.23%   -0.09%     
===========================================
  Files           70       70              
  Lines         9714     9692      -22     
===========================================
- Hits          6248     6226      -22     
  Misses        3466     3466              
Impacted Files Coverage Δ
aiida_fleur/data/fleurinp.py 88.49% <71.42%> (-0.67%) :arrow_down:
aiida_fleur/parsers/fleur.py 63.18% <100.00%> (ø)
aiida_fleur/tools/common_fleur_wf.py 81.66% <100.00%> (-0.83%) :arrow_down:
aiida_fleur/workflows/banddos.py 84.49% <100.00%> (ø)

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broeder-j commented 3 years ago

@janssenhenning Is this complete, since the precommit is happy now? What was the issue with 'is_code'? It is not used currently. But I imagine it still to be useful for the commandline interface. The purpose was to allow users to provide a code in any posible way.

janssenhenning commented 3 years ago

I think this was a mistake by me I mistook the error the test gave me It is something in the test of is_code that has to be changed. 'is_code' should work fine. But the question is what is the difference between this function and load_code in aiida-core? This will also work with pks, uuids, and labels

janssenhenning commented 3 years ago

There is some issue with the archives used for some tests (test_plot and test_workflow_cmd). They fail when they are migrated to the newer version. But for the plugin itself I could not find any more issues (I haven't tested the workflows extensively though)

broeder-j commented 3 years ago

solves issue #120