Introduce 'aiida-optimade calc' CLI command #151
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## develop #151 +/- ##
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- Coverage 90.69% 90.15% -0.55%
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Lines 1010 1056 +46
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The 'calc' command takes in multiple field values, example: aiida-optimade calc elements species In this example the fields `elements` and `species` will be removed from all Nodes where it exists in the `optimade` Extra. Then the `_check_and_calculate_entities()` method of the `AiidaCollection` class will be run with relevant fields set. This will run the mapper, which will update _only_ the missing fields for all the Nodes. Add tests for aiida-optimade calc. Update some tests for aiida-optimade run according to the new uvicorn handling of `log-level`. Add deletion statements of Nodes in memory. This seems to be an issue especially for the SQLAlchemy backend.
Be more verbose in pytest run.
CasperWA
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Closes #150.
The 'calc' command takes in multiple field values, example:
aiida-optimade calc elements speciesIn this example the fields
elementsandspecieswill be removed from all Nodes where it exists in theoptimadeExtra.Then the
_check_and_calculate_entities()method of theAiidaCollectionclass will be run with relevant fields set.This will run the mapper, which will update only the missing fields for all the Nodes.