{2023.06}[foss/2023a] RELION-5.0.0-foss-2023a-CUDA-12.1.1.eb

[jpecar]

This one depends on all the goodies: cuda, pytorch, ... expecting problems. Want to use it to learn how deal with these.

[bedroge]

For CUDA builds the bot requires that all CPU dependencies are in place first, because they would otherwise end up in the wrong prefix. Quite a few are still missing for this one, so those would have to be added first.

Furthermore, we usually recommend to do big/complex dependencies (like PyTorch) first (in separate PR). But for PyTorch we will definitely run into issues, we've tried to build this particular version a while ago: #973. In the end we decided to give up and move the effort to a more recent version of PyTorch, see #1389. That version also got somewhat stuck on a few remaining Arm issues, but maybe we can get that ingested soonish with some final pushes. Then we do still need to build a CUDA version as well, which will probably have additional issues.

There's a still open PR for RELION 5.1.0 with a more recent toolchain and PyTorch 2.9.1, so maybe we can ultimately try to get that one built? easybuilders/easybuild-easyconfigs#26470

[jpecar]

Ah, wasn't aware of PR for 5.1. Yes, if we already have that, lets go with that one.