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CLI: support worker-based execution - #2174

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atravitz wants to merge 13 commits into
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cli/worker-based-execution
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CLI: support worker-based execution#2174
atravitz wants to merge 13 commits into
epic/execution_improvementsfrom
cli/worker-based-execution

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@atravitz

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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.
  • 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

* add notes

* cli worker require taskdb

* add example slurm submission script
@atravitz
atravitz changed the base branch from main to epic/execution_improvements August 25, 2026 00:29
atravitz and others added 6 commits August 24, 2026 17:31
* add warehouse option to plan_rhfe for consistent behavior

* add alchemical network parameter

* add build_warehouse command

* add CLI plugin

* add alchemical network getter

* fix file exists check

* clean up default naming

* add write statements

* add TODO

* add smoke test
@codecov

codecov Bot commented Aug 25, 2026

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Codecov Report

❌ Patch coverage is 97.63780% with 3 lines in your changes missing coverage. Please review.
✅ Project coverage is 90.59%. Comparing base (c4137e6) to head (13fee8b).

Files with missing lines Patch % Lines
src/openfecli/commands/run_worker.py 83.33% 2 Missing ⚠️
src/openfecli/commands/plan_rhfe_network.py 80.00% 1 Missing ⚠️
Additional details and impacted files
@@                       Coverage Diff                       @@
##           epic/execution_improvements    #2174      +/-   ##
===============================================================
+ Coverage                        90.56%   90.59%   +0.03%     
===============================================================
  Files                              219      224       +5     
  Lines                            21449    21539      +90     
===============================================================
+ Hits                             19425    19513      +88     
- Misses                            2024     2026       +2     
Flag Coverage Δ
fast-tests 90.59% <97.63%> (+0.03%) ⬆️

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@atravitz atravitz self-assigned this Aug 27, 2026
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