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Add aggregate notebook that explains how to aggregate dynamically sized outputs #287

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merged 18 commits into from
Sep 20, 2024

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@agoscinski agoscinski commented Sep 1, 2024

Implements suggestions in issue #284

@superstar54 I have an issue with submit(wait=True) the output is None (see first example where I kept submit). EDIT: I see that this is something related to my local setup and not a general bug.

While I think the section about nested data types at the end is important, it does not really fit into the aggregate notebook. It is also more dealing with aiida-core issues than workgraph. I have no good idea at the moment. I would keep it there and see if we can move it somewhere more meaningful in the future.

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codecov-commenter commented Sep 1, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 80.62%. Comparing base (5937b88) to head (9842670).
Report is 79 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #287      +/-   ##
==========================================
+ Coverage   75.75%   80.62%   +4.87%     
==========================================
  Files          70       66       -4     
  Lines        4615     5147     +532     
==========================================
+ Hits         3496     4150     +654     
+ Misses       1119      997     -122     
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@agoscinski agoscinski marked this pull request as ready for review September 2, 2024 07:46
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Hi @agoscinski , thanks for the work! I requested a few changes.

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Thanks for the update, almost ready to go. I added one last comment.

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@agoscinski agoscinski force-pushed the aggregate-example branch 2 times, most recently from f03e123 to 317c704 Compare September 19, 2024 07:21
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Because the graph builder example also uses the term dynamic input I switched to usage dynamic input port. Not sure if it should be dynamic input socket.

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LGTM!

The notebook explains how to aggregate dynamically sized outputs
and handle with nested datatypes as input.
@agoscinski agoscinski merged commit 4c14881 into main Sep 20, 2024
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@agoscinski agoscinski deleted the aggregate-example branch September 20, 2024 16:39
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