Add tools property and entrypoint for workflows#6884
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #6884 +/- ##
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+ Coverage 79.86% 79.90% +0.04%
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Files 566 568 +2
Lines 43958 43984 +26
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+ Hits 35103 35139 +36
+ Misses 8855 8845 -10 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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@bastonero sorry I did not give you heads up. I wanted to merge it and was about to finalize it but then there was an error in the REST API which I was not able to fix in the time |
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@agoscinski no worries, and thanks a lot! is there still this issue? do we need to add/do something else/more? |
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@eimrek can you have a look? It is a test error in the REST API |
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I'm very interested in having this feature. Adding tools to my work chains would be sexy AF. Any chance we can get this merged soon? @eimrek can you look into the blocking issue during the coding week? |
thanks for the note, sure, I can try to get this done during the coding week. |
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Hi @bastonero @mbercx @agoscinski. looks like just merging main here fixed the restapi issue. Regarding the actual changes, they look fine, but I didn't test them. |
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Hey @agoscinski @eimrek @mbercx, do you think we could merge this one anytime soon? It would be really useful to have. |
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Add a `tools` property to `WorkChainNode` and load workflow helpers from `aiida.tools.workflows` entry points. Register the new workflow tools entry point group, add the base `WorkflowTools` implementation, and cover the workflow and calculation fallback paths with tests. Co-authored-by: Alexander Goscinski <alex.go@posteo.de> Co-authored-by: Kristjan Eimre <eimrek@users.noreply.github.com>
Replace ad-hoc mock setup with pytest fixtures for workflow and calculation tools tests. Cover the workflow tools entry point integration and the workflow and calculation fallback paths with clearer fixture-based tests. Co-authored-by: Alexander Goscinski <alex.go@posteo.de> Co-authored-by: Kristjan Eimre <eimrek@users.noreply.github.com>
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danielhollas
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Sorry I won't have time to look at this anytime soon so leaving review to others.
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I'm keen to have this feature, so happy to review later this week (I think Thu I will have time). Will also field-test it on a workflow I wanted it for. Just have to remember which one that was. 😅 In any case: @bastonero I don't think I see any changes to the documentation. Should we add this somewhere, or update the docs that mention this for |
Add a `tools` property to `WorkChainNode` and load workflow helpers from `aiida.tools.workflows` entry points. Register the new workflow tools entry point group, add the base `WorkflowTools` implementation, and cover the workflow and calculation fallback paths with tests. Co-authored-by: Alexander Goscinski <alex.go@posteo.de> Co-authored-by: Kristjan Eimre <eimrek@users.noreply.github.com>
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Add a `tools` property to `WorkChainNode` and load workflow helpers from `aiida.tools.workflows` entry points. Register the new workflow tools entry point group, add the base `WorkflowTools` implementation, and cover the workflow and calculation fallback paths with tests. Co-authored-by: Alexander Goscinski <alex.go@posteo.de> Co-authored-by: Kristjan Eimre <eimrek@users.noreply.github.com>
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The flaky test failed Currently it is fixed it PR #7325 in commit fe23aed but I need to make another PR for it. I will ignore therefore ignore the error of CI ci-code / test minimum reqs (3.10, sqlite) The other problem is |
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Thanks a lot everyone! |
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So... no documentation? 😅 @agoscinski @bastonero |
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yeah we should add it. shall we open an issue just as a reminder? i can probably work on this a bit tomorrow. |
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Good idea, done! |
Fixes #6865