Add function to pick_device based on models availability and use request.

[PicoCentauri]

Fixes #21

We have something similar in metatrain

Biggest question now is, how we handle multi GPU requests. We have this in LAMMPS and also would need this to replace the metatrain function. We could add another parameter?

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• Tests updated (for new features and bugfixes)?
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• Issue referenced (for PRs that solve an issue)?

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• CHANGELOG updated with public API or any other important changes?

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[Luthaf]

Biggest question now is, how we handle multi GPU requests. We have this in LAMMPS and also would need this to replace the metatrain function. We could add another parameter?

Either we handle it here or inside LAMMPS. Maybe doing it inside LAMMPS makes the most sense since that's where we know about more things (in a sense this function is only picking the device type, not the device id).

device = pick_best_device(...)
if device.is_cuda:
     # change the device ID with the current code

[Luthaf]

Thanks!