Enabled custom placeholders in sbatch script

[MateaTuralija]

No description provided.

[codecov]

Codecov Report

Attention: Patch coverage is 13.33333% with 13 lines in your changes missing coverage. Please review.

Project coverage is 56.98%. Comparing base (204b222) to head (00ebbe2).
Report is 16 commits behind head on main.

Files with missing lines	Patch %	Lines
src/asyncmd/gromacs/mdengine.py	13.33%	13 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main      #29      +/-   ##
==========================================
- Coverage   57.24%   56.98%   -0.26%     
==========================================
  Files          18       18              
  Lines        2318     2332      +14     
  Branches      317      320       +3     
==========================================
+ Hits         1327     1329       +2     
- Misses        914      926      +12     
  Partials       77       77              

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[hejung]

As discussed via mail I think the best way to do this (because then we only need to do it at one place, but can use it for everything we submit via SLURM) is in the SlurmProcess. Since I have not heard from you for quite some time, I went ahead and finished the draft implementation from #30.
I hope that this adds everything you wanted to add, if not please let me know! (I realized that your implementation gives a bit more flexibility as it also allows to change non SLURM related things in the submission script.)

If I dont hear from you I will merge #30 sometime in the next weeks, but not before Friday, 11th April.

[MateaTuralija]

As discussed via mail I think the best way to do this (because then we only need to do it at one place, but can use it for everything we submit via SLURM) is in the SlurmProcess. Since I have not heard from you for quite some time, I went ahead and finished the draft implementation from #30. I hope that this adds everything you wanted to add, if not please let me know! (I realized that your implementation gives a bit more flexibility as it also allows to change non SLURM related things in the submission script.)

If I dont hear from you I will merge #30 sometime in the next weeks, but not before Friday, 11th April.

Yes, fell free to merge.

[hejung]

I merged #30 and would now close this, but please feel free to reopen.

Thank you for this suggestion and also the previous contributions!