Update vesin usage

[Luthaf]

Description of the issue

The code in metatrain uses vesin.ase_neighbor_list, with a fallback to the ase NL for partial PBC:

metatrain/src/metatrain/utils/neighbor_lists.py

Lines 130 to 142 in 08ec341

	if np.all(atoms.pbc) or np.all(~atoms.pbc):
	nl_i, nl_j, nl_S, nl_D = vesin.ase_neighbor_list(
	"ijSD",
	atoms,
	cutoff=options.cutoff,
	)
	else:
	# this is not implemented in vesin, so we use ASE
	nl_i, nl_j, nl_S, nl_D = ase.neighborlist.neighbor_list(
	"ijSD",
	atoms,
	cutoff=options.cutoff,
	)

IMO it could be good to update to a more recent vesin which should bring a couple of improvements:

• partial PBC support
• compute the NL on GPU directly, which removes the need to transfer a large amount of data from CPU to GPU

I would also remove vesin.ase_neighbor_list in favor of an explicit vesin.NeighborList, since the sorting done by vesin.ase_neighbor_list can slow down the calculation quite a bit (Luthaf/vesin#147)

We could also consider using nvalchemi on CUDA, but this dependency has been a bit problematic so to be discussed.