Add emmet-archival namespace package, part 1

[esoteric-ephemera]

Summary

Adds an archival namespace package to emmet to establish MP's data archival formats moving forward. This package should be flexible enough to permit new data formats as they become relevant (e.g., data from phonopy, LOBSTER, etc.)

• Base Archiver class that defines a schema for how data is to be archived / retrieved from HDF5 + zarr files
• VASP RawArchive class:
  • Stores only relevant VASP files as string / bytes archives in hierarchical format
  • Automatically strips copyright protected info from VASP files
  • Constructs TaskDoc from HDF5/zarr data
• VASP VolumetricArchive + separate volumetric data classes: formats for converting CHGCAR-structured files, bandstructures, and DOS to HDF5/zarr/parquet

Changes to emmet-core

• Remove old validation logic and replace with pymatgen-io-validation
• Add band_theory module for schemas of generic densities of states and band structures (electronic, phonon, etc.)

To Do's:

• Tests tests tests
• Test formats on a subset of VASP data on S3 to estimate storage size, partial retrieval, etc.

[esoteric-ephemera]

@tschaume to keep other PRs moving (like Karlo's new CLI) and to ensure we're making more easily-reviewed changes to new namespaces, going to checkpoint the archival package here. More updates will go into a separate PR

Most of the changes to emmet-core are additive. The only thing you might want to check @tsm is that the phonon bandstructure and DOS schemas still are OK with OpenData. These just inherit from a new base class which schematizes generic bandstructure and DOS objects

[codecov-commenter]

Codecov Report

❌ Patch coverage is 78.28627% with 223 lines in your changes missing coverage. Please review.
✅ Project coverage is 88.92%. Comparing base (6b427f9) to head (66317b2).

Files with missing lines	Patch %	Lines
emmet-core/emmet/core/vasp/validation_legacy.py	58.11%	80 Missing ⚠️
emmet-archival/emmet/archival/atoms.py	68.83%	48 Missing ⚠️
emmet-archival/emmet/archival/vasp/volumetric.py	52.56%	37 Missing ⚠️
emmet-archival/emmet/archival/volumetric.py	69.62%	24 Missing ⚠️
emmet-archival/emmet/archival/base.py	85.71%	11 Missing ⚠️
emmet-core/emmet/core/band_theory.py	94.80%	8 Missing ⚠️
emmet-archival/emmet/archival/vasp/raw.py	94.85%	7 Missing ⚠️
emmet-core/emmet/core/vasp/utils.py	93.87%	3 Missing ⚠️
emmet-core/emmet/core/tasks.py	71.42%	2 Missing ⚠️
emmet-core/emmet/core/utils.py	92.00%	2 Missing ⚠️
... and 1 more

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1190      +/-   ##
==========================================
- Coverage   89.45%   88.92%   -0.54%     
==========================================
  Files         151      161      +10     
  Lines       15756    16545     +789     
==========================================
+ Hits        14095    14712     +617     
- Misses       1661     1833     +172     

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[tschaume]

Wow, great work! I only have nit-picky comments to go through.