Packages for conda-forge

@rusty1s and other developers,

I’m excited to see that PyTorch Geometric can already be installed with conda (https://github.com/rusty1s/pytorch_geometric#anaconda) and seems to be compatible with conda-forge.

Do you have any specific reason not to contribute the packages directly to conda-forge? There has already been some effort to create PyTorch Geometric packages for conda-forge (https://github.com/conda-forge/pytorch_geometric-feedstock, ping @oblute @rluria14).

For context, we are expanding OpenMM (https://github.com/openmm/openmm) capabilities to use ML for molecular simulations (https://github.com/openmm/openmm-torch). The common problem is that many packages from PyPI and other conda channels are binary incompatible and it makes hard to use them. conda-forge solves many of these issues.

Recently, we have migrated OpenMM to conda-forge. If you are interested, @jchodera could connect you with the right people in the conda-forge community.

[sarthakpati]

Hi,

An incomplete conda-forge package is available via https://github.com/conda-forge/torch-scatter-feedstock

I agree that having availability through own mechanisms definitely makes targeting all OS’s easier (e.g., windows pytorch is only available through the pytorch channel), and I feel that having both options is definitely feasible. I am more than happy to help, of course.

[hadim]

Maybe a quick feedback here: we have been using the pytorch_geometric CF package for a while now, and it’s working great for us. We moved away from using the pyg channel since it was creating many dep solving issues or binary incompat issues when used with CF.

The only missing piece compared to the packages on the pyg channel is windows support: https://github.com/conda-forge/pytorch_geometric-feedstock/issues/25

I also want to highlight that in addition to moving away from the pyg channel, we also moved away from using the pytorch and anaconda channel as well (for the same reasons as above). We now rely solely on the conda-forge channel, and we saw our dep solving issues decreased significantly since then.