Torchdata datapipes deprecation from 0.9.0 --> 0.11.0

[andrewtarzia]

As in the heading, I have found that installation of this environment:

  mamba install -y -c conda-forge openff-toolkit openmm openmmtools rdkit==2024.3.4 dgl espaloma_charge

Install a new version of torchdata, which then does not allow this module to be imported due to the loss of the datapipes module.

I see that there is a plan to update this module to newer versions, this could be something to consider. Or, am I doing something wrong?

My current solution is to pin the version of torchdata.

[andrewtarzia]

This may be a "I am using a machine without a GPU issue", but ultimately mamba struggled to solve this until using:

  mamba install -y -c conda-forge pytorch==2.3.1 torchdata==0.7.1 openff-toolkit openmm openmmtools rdkit==2024.3.4 dgl espaloma_charge