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Expand regression tests #130

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11 of 16 tasks
janssenhenning opened this issue Jul 8, 2021 · 0 comments
Open
11 of 16 tasks

Expand regression tests #130

janssenhenning opened this issue Jul 8, 2021 · 0 comments

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@janssenhenning
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janssenhenning commented Jul 8, 2021

We now have the ability to run a CI job of aiida-fleur vs. the develop version of fleur with the regression tests actually running the develop executables (not yet merged into the develop branch see https://iffgit.fz-juelich.de/fleur/fleur/-/tree/nightly_build_against_aiida_fleur). This is a good opportunity to expand the regression tests atleast for the simple technical workflows

EDIT: Now it is on the develop branch and run in the nightly pipeline of fleur
(See https://iffgit.fz-juelich.de/fleur/fleur/-/jobs/344864 for example)

Since the caching plays no role in the develop pipeline this should also not depend strongly on changes to aiida-testing or the archive impliementation in aiida-core

Workflows with no running regression tests (I just put every workchain here, this does not mean it's necessarily practical to implement complete regression tests for all):
NOTE: Checked boxes do not mean the workchain is fully covered but only that we have some regression tests running on the fleur CI

  • FleurBandDosWorkChain
  • FleurEOSWorkChain
  • FleurSSDispWorkChain
  • FleurMAEWorkChain
  • FleurDMIWorkChain
  • FleurCFCoeffWorkChain
  • FleurRelaxWorkChain
  • FleurBaseRelaxWorkChain
  • FleurStrainWorkChain
  • FleurCreateMagneticWorkChain
  • FleurBaseWorkChain
  • FleurOrbControlWorkChain
  • FleurCoreholeWorkChain
  • FleurInitialCLSWorkChain
  • FleurMaeConvWorkChain
  • FleurSSDispConvWorkChain
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