Update torch/dgl

[ElliottKasoar]

Currently we pin torch to 2.2.0 to resolve issues with dgl, which is required by matgl (M3GNet), but increasingly becoming a problem.

If we only update torch to 2.4.0, poetry installs everything happily enough, but I get errors such as

FileNotFoundError: Cannot find DGL C++ graphbolt library at /home/ek/PSDI/venv_janus_11_new/lib/python3.11/site-packages/dgl/graphbolt/libgraphbolt_pytorch_2.4.0.so

This is probably because dgl needs to be updated too, but they no longer publish to PyPI, and adding their custom link doesn't seem to work nicely with poetry (possibly related to python-poetry/poetry#9385, which is resolved but not in a release yet).

One solution may be custom dgl URLs for each Python version, which I think would work

Alternatively, we may just want to remove automatic testing of M3GNet, and add instructions for installation separately. This will be necessary for Windows/MacOS anyway, as they now require building from source.

[ElliottKasoar]

chgnet 0.4.0, which I think is required to resolve the MacOS testing issue (#214) also depends on torch 2.4.1. Unfortunately it also drops support for Python 3.9, which complicates things for us...

[alinelena]

i will stay away from 2.4.1 stick to 2.4.0

[ElliottKasoar]

What's the problem with 2.4.1? We won't be able to update chgnet for a while then

[alinelena]

there is a mace issue and probably nequip