Prep for next pymatgen release

[janosh]

Many pymatgen classes had inconsistently named get/from_(str|string) methods. get/from_string was deprecated in favor of get/from_str 6 months ago and removed last week in materialsproject/pymatgen#3561 which will be released this or next week.

@utf this change will require a new atomate2 version to be compatible with the upcoming pymatgen.

resulting AttributeError in current atomate2 reported by @abhardwaj73 in materialsproject/pymatgen#3571 (comment). thanks!

[codecov]

Codecov Report

Attention: 2 lines in your changes are missing coverage. Please review.

Comparison is base (3b4c511) 76.25% compared to head (f4a9e57) 76.25%.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #690   +/-   ##
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  Coverage   76.25%   76.25%           
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  Files          87       87           
  Lines        7151     7151           
  Branches     1057     1057           
=======================================
  Hits         5453     5453           
  Misses       1374     1374           
  Partials      324      324           

Files	Coverage Δ
src/atomate2/vasp/sets/base.py	74.05% <77.77%> (ø)

[mkhorton]

Apologies @utf, we're in a situation where the latest atomate2 is incompatible with the latest pymatgen. Would it be possible to mint an atomate2 release?

A secondary question, @utf are you the only person able to initiate an atomate2 release at present?

[JaGeo]

@mkhorton we have been installing atomate2 with [strict] for quite a while now as there were many issues because of the pydantic upgrade and incompatibilties with other MP codes. I think quite a few users have been doing this since then. Thus, the effect of this incompability should not be too big.

[janosh]

@JaGeo i went the other extreme for the same reasons and have been installing atomate2 from main these last couple of months 😄
which incidentally is why i didn't notice this fix hasn't been released yet. happy to help with that

[utf]

@mkhorton thanks for raising this - unfortunately, the latest pymatgen had some bugs which meant it was not compatible with atomate2. Once a fixed version is released I can push a new atomate2 version.

Currently, I'm the only one pushing releases but technically @janosh is able to do it also (as can anyone with push access to main). If pushing atomate2 versions is something @janosh would be interested in, then happy to chat about it over email.

[utf]

Also adding this for tracking: #719