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add links for task based execution tutorials - #2218

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atravitz merged 8 commits into
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docs/add_task_based_execution_tutorials
Oct 8, 2026
Merged

atravitz merged 8 commits into
release/v1.13.0from
docs/add_task_based_execution_tutorials

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@atravitz

@atravitz atravitz commented Sep 25, 2026 •

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Description

dependent on OpenFreeEnergy/ExampleNotebooks#322
resolves #2215
resolves #2232

LLM / AI generated code disclosure

LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: no

Checklist

  • All new code is appropriately documented (user-facing code must have complete docstrings).
  • Added a news entry, or the changes are not user-facing.
  • Ran pre-commit: you can run pre-commit locally or comment on this PR with pre-commit.ci autofix.
  • Adhered to the contribution guidelines
  • Filled in the AI generated code disclosure.

Manual Tests: these are slow so don't need to be run every commit, only before merging and when relevant changes are made (generally at reviewer-discretion).

Developers certificate of origin

@atravitz atravitz added this to the 1.13.0 milestone Sep 25, 2026
@atravitz
atravitz force-pushed the epic/execution_improvements branch from 352ad4f to d1dd648 Compare September 30, 2026 21:31
@atravitz
atravitz force-pushed the docs/add_task_based_execution_tutorials branch from 2d251df to b155d18 Compare October 1, 2026 16:22
Base automatically changed from epic/execution_improvements to main October 1, 2026 22:01
@atravitz atravitz linked an issue Oct 2, 2026 that may be closed by this pull request
@atravitz
atravitz force-pushed the docs/add_task_based_execution_tutorials branch 2 times, most recently from 89f4c81 to dc434cd Compare October 2, 2026 22:43
@hannahbaumann

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pre-commit.ci autofix

Comment thread pyproject.toml Outdated
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codecov Bot commented Oct 6, 2026 •

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 90.34%. Comparing base (b917eda) to head (8caf1ee).

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #2218      +/-   ##
==========================================
- Coverage   95.13%   90.34%   -4.79%     
==========================================
  Files         224      224              
  Lines       22009    22009              
==========================================
- Hits        20938    19885    -1053     
- Misses       1071     2124    +1053     
Flag Coverage Δ
fast-tests 90.34% <ø> (?)
slow-tests ?

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@atravitz

atravitz commented Oct 6, 2026

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pre-commit.ci autofix

@atravitz
atravitz force-pushed the docs/add_task_based_execution_tutorials branch 5 times, most recently from c083757 to 92026a5 Compare October 7, 2026 17:10
@atravitz
atravitz force-pushed the docs/add_task_based_execution_tutorials branch from aad8365 to b7f73bb Compare October 7, 2026 23:52
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atravitz marked this pull request as ready for review October 7, 2026 23:57
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atravitz requested a review from hannahbaumann October 8, 2026 00:25
@atravitz
atravitz changed the base branch from main to release/v1.13.0 October 8, 2026 00:27

@hannahbaumann hannahbaumann left a comment

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Thanks, @atravitz , lgtm, just the small comment, but not blocking!

Comment thread docs/guide/execution/task_based_execution.rst Outdated
@atravitz
atravitz merged commit 5846a84 into release/v1.13.0 Oct 8, 2026
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@atravitz
atravitz deleted the docs/add_task_based_execution_tutorials branch October 8, 2026 14:46
atravitz added a commit that referenced this pull request Oct 8, 2026
* add links and fix formatting/typos of news items

* Updated CHANGELOG for 1.13.0

* update environment to match feedstock

* try draft feedstock recipe

* update recipe

* pin example notebooks to 2026.10.07

* update recipe_draft deps

* add #2118 and #2019 to changelog

* add links for task based execution tutorials (#2218)

* add links for task based execution tutorials

* point to working branch

* update links

* update loop to have upper limit

* point to release branch

* update user guide to be less redundant with tutorials

* clean up extra item

* update draft recipe
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docs: update suggested slurm call to exit when all tasks are completed docs: add task-based execution tutorials

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