Update LOBSTER output files list

[naik-aakash]

Changes

With LOBSTER v>=5, There are new keywords added that enables generating new output files for specific types of analysis, ideally they should also get gzipped if user enables such calculations, thus this list of output has been updated

Todo

• Add test files and update tests

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 76.93%. Comparing base (4244da9) to head (47f486d).
Report is 6 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1044      +/-   ##
==========================================
+ Coverage   72.82%   76.93%   +4.11%     
==========================================
  Files         187      187              
  Lines       13637    13627      -10     
  Branches     1370     1372       +2     
==========================================
+ Hits         9931    10484     +553     
+ Misses       3161     2592     -569     
- Partials      545      551       +6     

Files with missing lines	Coverage Δ
src/atomate2/lobster/files.py	91.66% <ø> (ø)

... and 44 files with indirect coverage changes

[esoteric-ephemera]

Hey @naik-aakash and @JaGeo is this ready to be merged? Not sure if there's also a bump in the lobsterpy dependence that's needed

[naik-aakash]

Hi @esoteric-ephemera , its not yet ready, I will try to add some tests files by end of this week then ping you once am done.

[esoteric-ephemera]

No rush at all! Trying to clear out older PRs / make sure they don't get stale

[naik-aakash]

Hi @esoteric-ephemera , this PR could be merged.

Generating LobsterTaskDoc with with latest lobster version files with new keywords in lobsterin (new test files in this PR) will fail untill materialsproject/pymatgen#4481 this PR in pymatgen is merged and new version is available.

[esoteric-ephemera]

Thanks @naik-aakash, I'm looking into why unrelated tests are suddenly failing at the networkx stage and will merge once I get that resolved

[JaGeo]

Oh, @esoteric-ephemera we need to pin jobflow now? Did you see why @esoteric-ephemera ? We might need to discuss this within a joblow issue then.

[JaGeo]

@esoteric-ephemera ah, you already did this. Apologies. My email notifications arrive very late today!

[esoteric-ephemera]

All good! Should've linked the issue here before:
materialsproject/jobflow#847

Something to do with None values being set when previously they weren't? Not very sure, the issue propagates up through networkx