More regression tests

[janssenhenning]

• Reactivate more scf regression tests
  • Starting from remote data (already converged)
  • Non convergence
  • specified kpoint distance
• Add banddos tests starting from remote
• Basic tests for
  • fleur.create_magnetic (Generating test data takes almost 2 hours on CI !!) (Skipped for now since the caching does not work due to numerical fluctuations)
  • fleur.initial_cls
  • fleur.corehole
  • fleur.ssdisp_conv
  • fleur,mae_conv

No Idea if the iffgit CI can handle these :/ (EDIT: Barely) Use more structured fixture for showing reports and caching information Added rudimentary support for MaX5 to extract_corelevels (Essentially only to get the result to recreate it with masci-tools) Fixed various small things in workchains now covered

[codecov[bot]]

Codecov Report

Merging #186 (4c32ed0) into develop (76372b6) will increase coverage by 6.08%. The diff coverage is 75.94%.

@@             Coverage Diff             @@
##           develop     #186      +/-   ##
===========================================
+ Coverage    71.12%   77.20%   +6.08%     
===========================================
  Files          121      122       +1     
  Lines        14845    15095     +250     
===========================================
+ Hits         10558    11654    +1096     
+ Misses        4287     3441     -846     

Impacted Files	Coverage Δ
tests/update_workflow_caches.py	0.00% <0.00%> (ø)
aiida_fleur/workflows/corehole.py	82.49% <88.88%> (+69.72%)	:arrow_up:
tests/conftest.py	92.37% <94.11%> (+0.33%)	:arrow_up:
aiida_fleur/tools/extract_corelevels.py	86.90% <100.00%> (+0.48%)	:arrow_up:
aiida_fleur/workflows/eos.py	86.52% <100.00%> (ø)
aiida_fleur/workflows/initial_cls.py	63.11% <100.00%> (+51.94%)	:arrow_up:
tests/cmdline/visualization/test_plot.py	100.00% <100.00%> (ø)
tests/cmdline/workflows/test_worklow_cmd.py	100.00% <100.00%> (ø)
tests/tools/test_data_handling.py	100.00% <100.00%> (ø)
tests/tools/test_plot_fleur.py	100.00% <100.00%> (+0.99%)	:arrow_up:
... and 17 more

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