jaimergp

I posted an unofficial workaround some time ago, relying on an additional channel label that just contained [metadata-only packages for cudatoolkit](https://anaconda.org/jaimergp/cudatoolkit). However it is unmaintained and would require constant updates...

(That said, I would argue that running `conda` on a login node could be regarded as a bad idea depending on the resources available. Classic conda can eat GBs of...

They are migrated already! Omnia is not needed. What happens is that openmmtools has a little C extension that requires per-platform compilation. We need to add that to the feedstock....

Hm, I see. I saw the Cython requirement and didn't look further. I have opened a PR to make it `noarch` (and thus multiplatform), but we need to cut a...

Actually, a v0.21 release is needed. 0.20 still builds the cython extension: https://github.com/choderalab/openmmtools/blob/0.20.0/setup.py#L27

@t-kimber and I recently used [BFG Repo Cleaner](https://rtyley.github.io/bfg-repo-cleaner/) (mentioned in the SO question) with great success. It's a Java script, but easy to use.

You can do `pip install https://github.com/openforcefield/openff-toolkit/archive/param-iter.tar.gz` I think!

AFAIK the "filename" can be any git ref, so even hash commits will work.

You can track the progress for `ppc64le` and `aarch` CF packages in this PR: https://github.com/conda-forge/openmm-feedstock/pull/23 Note these are not released, so you would need to run `conda build recipe` on...

Updates on this: * OpenMM 7.5 will work ok with ppc64le - see https://github.com/conda-forge/openmm-feedstock/pull/23 * RDKit is now being distributed for ppc64le on conda-forge - see https://github.com/conda-forge/rdkit-feedstock/pull/54 * AmberTools too...