Let SCF iteration converge for this test, because an SCF convergence … #202
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…failure is now an error and causes an abort.
mkrack
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This PR works fine for me locally using this docker file and it should resolve the current issue with the regression test for the AiiDA-CP2K plugin. |
yakutovicha
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Dec 22, 2023
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I'm afraid the test is still rather flaky as it fails roughly every other time. |
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I will work on tests in the next few weeks. I will probably move from running the code to mocking the code execution and providing pre-computed output files. |
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Is there no other way? If you mock out cp2k then this test will be far less useful. |
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…failure is now an error and causes an abort.