CLI: Fix bug in aiida-quantumespresso workflow launch pw-base
#1039
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The command would not specify the `CONTROL` key for the input parameters resulting in an exception in the upload step. This was not discovered by tests because the workflow is not actually run and the exception is only hit when the calcjob is actually executed.
sphuber
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aiida-quantumespresso workflow launc pw-baseaiida-quantumespresso workflow launch pw-base
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@mbercx the exception in question is hit here It essentially means that the CONTROL.calculation key is required for the PwCalculation, even though it is made required by the BasePwCpInputGenerator class. I wonder if we therefore should not add this check to the validator of the PwCalculation class itself instead of letting it except in the base class when the upload task is executed.
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rikigigi
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Sep 25, 2024
…team#1039) The command would not specify the `CONTROL` key for the input parameters resulting in an exception in the upload step. This was not discovered by tests because the workflow is not actually run and the exception is only hit when the calcjob is actually executed.
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The command would not specify the
CONTROLkey for the input parameters resulting in an exception in the upload step. This was not discovered by tests because the workflow is not actually run and the exception is only hit when the calcjob is actually executed.