Added solvation option to Orca job adapter

[alongd]

Added SMD and PCM solvation types Note that the keywords here are for Orca 4 and not Orca 5, this should still be fixed

Tests added

[codecov[bot]]

Codecov Report

Merging #666 (f5d8e4d) into main (6b51ce5) will decrease coverage by 0.30%. The diff coverage is 94.73%.

:exclamation: Current head f5d8e4d differs from pull request most recent head 1f1b930. Consider uploading reports for the commit 1f1b930 to get more accurate results

@@            Coverage Diff             @@
##             main     #666      +/-   ##
==========================================
- Coverage   73.52%   73.23%   -0.30%     
==========================================
  Files          99       99              
  Lines       26602    26378     -224     
  Branches     5542     5516      -26     
==========================================
- Hits        19559    19317     -242     
- Misses       5673     5692      +19     
+ Partials     1370     1369       -1     

Flag	Coverage Δ
unittests	73.23% <94.73%> (-0.30%)	:arrow_down:

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Files	Coverage Δ
arc/job/adapters/orca_test.py	100.00% <100.00%> (ø)
arc/job/adapters/orca.py	48.20% <80.00%> (+1.18%)	:arrow_up:

... and 29 files with indirect coverage changes

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[alongd]

@Lilachn91, what's the status of this PR? The errors in the tests seem trivial to fix

[Lilachn91]

@alongd I fixed the tests, should be fine. Note it's a temporary fix until I figure out parallelization in Atlas. After I'll edit the adapter to work also with solvation on Orca 5 and test it, we can merge.

Thanks :)