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Local dataset validation #130

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jthorton opened this issue Apr 30, 2021 · 0 comments
Open

Local dataset validation #130

jthorton opened this issue Apr 30, 2021 · 0 comments

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@jthorton
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It would be good to copy the qca-dataset-submission validation framework locally to look for errors and to have more verbose feedback on what exactly is causing the issues (entry id, scf keyword ...), the idea would be to have a function in qcsubmit that runs the validation and qca-dataset CI can just use this function. We also should add a bare except at the bottom of this logic which catches any exceptions that are new.

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