Fix custodian json import issue

[JaGeo]

Closes materialsproject/atomate2#604. I would be happy if this could get merged soon.

[codecov-commenter]

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (8bf7303) 78.91% compared to head (b80cbea) 78.91%.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #883   +/-   ##
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  Coverage   78.91%   78.91%           
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  Files          75       75           
  Lines        4217     4217           
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  Hits         3328     3328           
  Misses        889      889           

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[JaGeo]

@munrojm, would it be possible for you to have a look at this?

[utf]

Hi @JaGeo, thanks for this report.

A couple of thoughts:

• Is this issue happening because the json parsing is using monty loadfn which is deserialising the objects? One fix would be to just use json.load. This will probably be quicker and less error prone.
• To avoid more issues down the line, we could also change type hinting to Optional[Any] as per this comment: BUG: TaskDoc in latest atomate2 version cannot process json from custodian atomate2#604 (comment)

[JaGeo]

• Is this issue happening because the json parsing is using monty loadfn which is deserialising the objects? One fix would be to just use json.load. This will probably be quicker and less error prone.

@utf, I assume so. I think, however, that it does not happen during the initial reading but rather at a later point as the initial reading suppresses the usage of cls.

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

Line 785 in be40a1f

return loadfn(filenames[0], cls=None)

From the error message, it fails at the start of relax2 rather than the end of relax1.

Just to add:
both, Optional[Any] and Optional[Union[dict,VaspJob]] worked for me.

[munrojm]

@JaGeo sorry for the delay. This looks fine to me. I would prefer to be a bit more explicit with Optional[Union[dict,VaspJob]] as you have it.

[JaGeo]

@munrojm Thank you so much!