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Add more QE codes with the calcjob entry point #557

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merged 3 commits into from
Nov 13, 2023

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@superstar54 superstar54 commented Nov 10, 2023

In case that a plugin requires codes other than pw, dos and projwfc. This PR adds all QE codes with the calcjob entry point in the aiida-quantumespresso.

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codecov bot commented Nov 10, 2023

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (9da4c0d) 80.73% compared to head (6e01621) 80.73%.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #557   +/-   ##
=======================================
  Coverage   80.73%   80.73%           
=======================================
  Files          49       49           
  Lines        3415     3415           
=======================================
  Hits         2757     2757           
  Misses        658      658           
Flag Coverage Δ
python-3.10 80.73% <100.00%> (ø)
python-3.8 80.77% <100.00%> (ø)
python-3.9 80.77% <100.00%> (ø)

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Files Coverage Δ
src/aiidalab_qe/common/setup_codes.py 42.74% <100.00%> (ø)

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@unkcpz unkcpz left a comment

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Looks all good, thanks!

@superstar54 superstar54 merged commit 154ace9 into main Nov 13, 2023
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@superstar54 superstar54 deleted the feature/add_more_qe_code branch November 13, 2023 13:49
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2 participants