Closed JaGeo closed 9 months ago
All modified and coverable lines are covered by tests :white_check_mark:
Comparison is base (
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) 78.91% compared to head (b80cbea
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@munrojm, would it be possible for you to have a look at this?
Hi @JaGeo, thanks for this report.
A couple of thoughts:
loadfn
which is deserialising the objects? One fix would be to just use json.load
. This will probably be quicker and less error prone.Optional[Any]
as per this comment: https://github.com/materialsproject/atomate2/issues/604#issuecomment-1800037935
- Is this issue happening because the json parsing is using monty
loadfn
which is deserialising the objects? One fix would be to just usejson.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. https://github.com/materialsproject/emmet/blob/be40a1f58c8911148df2d33874f0412855b0a7ee/emmet-core/emmet/core/tasks.py#L785 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.
@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.
@munrojm Thank you so much!
Closes https://github.com/materialsproject/atomate2/issues/604. I would be happy if this could get merged soon.