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SlurmProcess: Add possibility to pass arbitrary options to sbatch via sbatch_options #30

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@hejung hejung commented Feb 24, 2025

So far this only adds the option to pass sbatch options to the SlurmProcess.

To be useful one still needs to make use of the new sbatch_options argument to the SlurmProcess in:

  • SlurmGmxEngine
  • SlurmTrajectoryFunction
  • not sure if I forgot anything? :)

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codecov bot commented Feb 24, 2025

Codecov Report

Attention: Patch coverage is 47.50000% with 21 lines in your changes missing coverage. Please review.

Project coverage is 57.06%. Comparing base (fd81a88) to head (badef1d).

Files with missing lines Patch % Lines
src/asyncmd/slurm.py 47.50% 18 Missing and 3 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main      #30      +/-   ##
==========================================
- Coverage   57.24%   57.06%   -0.19%     
==========================================
  Files          18       18              
  Lines        2318     2357      +39     
  Branches      317      324       +7     
==========================================
+ Hits         1327     1345      +18     
- Misses        914      932      +18     
- Partials       77       80       +3     

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