MoleculeMetadata set model config allow='extra'

[janosh]

Fixes breaking test_cclib_taskdoc in materialsproject/atomate2#548.

Failing lines that require allow='extra'.

2nd fix needed for atomate2 tests following #853.

[codecov-commenter]

Codecov Report

All modified lines are covered by tests ✅

Comparison is base (2f6119b) 91.35% compared to head (9396be4) 91.35%.
Report is 1 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #857   +/-   ##
=======================================
  Coverage   91.35%   91.35%           
=======================================
  Files         138      138           
  Lines       12747    12747           
=======================================
  Hits        11645    11645           
  Misses       1102     1102           

Files	Coverage Δ
emmet-core/emmet/core/base.py	100.00% <100.00%> (ø)
emmet-core/emmet/core/structure.py	100.00% <100.00%> (ø)

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[munrojm]

The issue with this is that the metadata model is inherited by a lot of other documents. This effectively destroys validation for them. Can we not just enable extra fields on TaskDocument like we do with the VASP equivalent (

emmet/emmet-core/emmet/core/tasks.py

Line 310 in 485638e

class TaskDoc(StructureMetadata, extra="allow"):

)?

[janosh]

@munrojm That works too. I now test that extra fields are ignored and will set extra='allow' here instead.