Add example MP-compatible phase diagram tutorial

[esoteric-ephemera]

It came up during the CECAM atomate2 workshop that it would be useful to have an example of how to perform MP-compatible workflow calcs, including how to apply corrections to these.

This adds a notebook to the tutorials on how to do this and a reference set of task docs. To handle the larger amount of raw VASP data used, I've added a VaspTestData class to atomate2.utils.testing.vasp which takes an input calculation directory and handles creation of a compressed JSON archive of the files for better organization / data usage

• I also tested using HDF5 and parquet to compress VASP test data, but the header / metadata fields take up a lot of space in these formats

Also added a utility function for extracting job UUID : name mappings from generic flows with replacements/etc. Can remove if requested, it's been useful for analyzing tests with complex flows when run locally.

Other changes:

• Repin pymatgen version in strict-openff dependencies - this keeps breaking tests
• Bumps pydantic and ensures AIMS models are fully defined, supersedes Bump pydantic from 2.9.2 to 2.11.1 #1161

[JaGeo]

Thanks. Should have fixed this a long time ago..

[JaGeo]

Maybe rather in utils.testing?

[esoteric-ephemera]

Sounds good - moved / made a common testing utils file

[JaGeo]

@esoteric-ephemera that's great. Thanks.
The idea behind the test data was to ensure that the tutorials will not break in the future which happens quite frequently otherwise. But I get the point with the large files ...

[esoteric-ephemera]

That makes sense, I'll see if it's possible to trim the new test data down sufficiently

[esoteric-ephemera]

@JaGeo , @utf : I got the test data for this down to about 10MB so I'm adding it here. I also added convenience classes to make json-format archives of VASP calculations (atomate2.utils.testing.vasp.VaspTestData) that interface with mock_vasp

So from the user's side, to make VASP test data archive, they have to run two lines of code:

from atomate2.utils.testing.vasp import VaspTestData

vtd = VaspTestData.from_directory("calculation directory")
vtd.to_file("name of the json.gz or json.bz2 file")

mock_vasp now checks for an archived test data format and appropriately unpacks it. The new classes handle making the directory structure, removing POTCAR info, etc.

Hoping this helps with file bloat / size as we grow tests out. If you want me to re-/move this, just let me know

[JaGeo]

Great @esoteric-ephemera . I like it. I am fine with leaving it.
Can you maybe add this way to generate test data in the documentation as well?

[JaGeo]

Thank you for the great work. I will merge!