Elasticity doc and builder

[mjwen]

Schema and builder for elastic tensors and derived properties.

This PR regenerates the builders for elastic tensor calculations. It

• creates schema for elastic tensors, compliance tensors, derived properties, as well as fitting data; the hope is to enable full provenance tracking and regeneration of the docs.

• ports three different elastic tensor fitting methods from atomate, which can be selected at the builder level

• filter tasks by INCAR params and task completion time in causes multiple tasks are associated with the same material

TODO: more unit tests should be added

[mjwen]

@munrojm I plan to have the PR merged soon. Can you first approve running workflows? Also, it seems you have already added some elasticity doc; now I just overwrite it by this PR. We can probably discuss more offline. In addition, there are some TODOs that I need to check with you.

[munrojm]

Hi @mjwen, no problem. Happy to meet and make this a priority.

[mjwen]

@munrojm ready for review!

There are 3 to 4 TODOs in builders/materials/elasticity.py and builders/vasp/materials.py, which we may want to discuss more.

[mjwen]

@munrojm good to go.

[munrojm]

All looks good to me. Once the tests are passing, I will merge.

[codecov-commenter]

Codecov Report

Merging #326 (a5f6b36) into main (0459457) will decrease coverage by 0.28%.
The diff coverage is 84.85%.

@@            Coverage Diff             @@
##             main     #326      +/-   ##
==========================================
- Coverage   98.06%   97.77%   -0.29%     
==========================================
  Files         109      112       +3     
  Lines       23205    23653     +448     
==========================================
+ Hits        22755    23127     +372     
- Misses        450      526      +76     

Impacted Files	Coverage Δ
...et-builders/emmet/builders/materials/elasticity.py	81.62% <81.62%> (ø)
emmet-core/emmet/core/elasticity.py	85.45% <85.38%> (ø)
emmet-builders/emmet/builders/vasp/materials.py	91.47% <93.33%> (-0.04%)	⬇️
emmet-core/emmet/core/common.py	100.00% <100.00%> (ø)
emmet-core/emmet/core/math.py	100.00% <100.00%> (ø)
emmet-core/emmet/core/vasp/material.py	96.15% <100.00%> (ø)
emmet-core/emmet/core/vasp/task_valid.py	100.00% <100.00%> (ø)
emmet-api/emmet/api/routes/electrodes/utils.py	93.54% <0.00%> (-6.46%)	⬇️
...api/emmet/api/routes/electrodes/query_operators.py	92.53% <0.00%> (-5.80%)	⬇️
emmet-api/emmet/api/routes/materials/utils.py	90.62% <0.00%> (-2.82%)	⬇️
... and 4 more

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[munrojm]

Thanks again for all your work on this @mjwen! I am going to go ahead and merge.