Add support for MACE models to the external tools

[ilyes319]

Hello ORCA team,

This PR allows interface the orca-external-tools to mace. It follows the same principle as the UMA interface.

[CLAassistant]

All committers have signed the CLA.

[cplett]

Hi,
thank you very much for the contribution. Integrating the MACE models is a great idea!
We’re currently preparing a restructuring of orca-external-tools, which is planned for very soon (likely next week). Once that’s done, I’ll come back to this PR.

[cplett]

Hi,
Thank you very much for your patience! The restructuring is now complete, so it would be great to include MACE at this point.
Would you be willing to align your implementation with the current code structure? Hopefully this won’t require too much additional work, and I’d be very happy to help if you run into any issues. If you don’t have the time, I can also take a look at aligning it, since edits by maintainers are allowed.

I’m really looking forward to using MACE with ORCA!

[cplett]

Hey @ilyes319,
Have you had a chance to adapt the MACE implementation to the new orca-external-tools structure? If not, just let me know if you need any assistance or if you'd prefer that I take over.

[ilyes319]

Hey @cplett I will not be able to do it in the next few months, so would be good if you can do it. Thank you!