PwCalculation: fix bug when hubbard_file is specified
#596
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The `prepare_for_submission` was using the `filename` of the `hubbard_file` input as the UUID in the `local_copy_list` which obviously fails. In addition, the `input_file_name_hubbard_file` classproperty of the `HpCalculation` clas was changed and adapted here to `filename_input_hubbard_parameters`. Note that a test cannot be added because it would have to depend on the `aiida-quantumespresso-hp` plugin, which itself depends on `aiida-quantumespresso`, creating a circular dependency. The test will be added to the former to make sure this behavior works.
mbercx
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Oct 24, 2020
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Thanks @sphuber! It looks fine to me, but I haven't been able to do a test run yet since I'm not very familiar with hp.x and aiida-quantumespresso-hp.
Perhaps we can spend a little time during our next meeting to discuss this and then I can provide the test for aiida-quantumespresso-hp?
Sure, good idea. I already added a test to the other plugin, but we can have a look. Thanks for the review |
sphuber
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Nov 17, 2020
The `prepare_for_submission` was using the `filename` of the `hubbard_file` input as the UUID in the `local_copy_list` which obviously fails. In addition, the `input_file_name_hubbard_file` classproperty of the `HpCalculation` clas was changed and adapted here to `filename_input_hubbard_parameters`. Note that a test cannot be added because it would have to depend on the `aiida-quantumespresso-hp` plugin, which itself depends on `aiida-quantumespresso`, creating a circular dependency. The test will be added to the former to make sure this behavior works.
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Fixes #595
The
prepare_for_submissionwas using thefilenameof thehubbard_fileinput as the UUID in thelocal_copy_listwhichobviously fails. In addition, the
input_file_name_hubbard_fileclassproperty of the
HpCalculationclas was changed and adapted hereto
filename_input_hubbard_parameters.Note that a test cannot be added because it would have to depend on the
aiida-quantumespresso-hpplugin, which itself depends onaiida-quantumespresso, creating a circular dependency. The test willbe added to the former to make sure this behavior works.