Add a harness for MACE-OFF23 and local MACE models

[jthorton]

Description

This PR adds a new harness for ML models based on the MACE architecture, supporting local models and three general organic force field published models (MACE-OFF23) which can be found here. More information about the performance can be found here.

Changelog description

Add new harness for MACE ML models supporting local and the general MACE-OFF23 models.

Status

• Code base linted
• Ready to go

[codecov]

Codecov Report

Merging #441 (77dc7b5) into master (7cad296) will decrease coverage by 1.69%.
The diff coverage is 96.59%.

Additional details and impacted files

[loriab]

thanks, lgtm. Is there a test that can be added that checks a numerical result? I think the CI failures are unrelated and minor, but I can't fix them until next week.

[jthorton]

Hi, @loriab just checking if anything else needs to be done to get this finished up :)