ngc-container-environment-modules Relion GUI is not in relion/3.* containers

Can not launch the Relion GUI for the 3.* version of the containers:

$ module load relion/3.1.0
$ relion
INFO legacy OFED driver set: 4.7-3.2.9.0          
FATAL Failed to find relion in PATH

And indeed, shelling into the container shows a bunch of relion_***** executables under /usr/local/relion/bin, but no relion itself.

Same for the relion/3.0.8 module. But not for relion/2.1.b1 (this GUI launches fine). The relion_refine_mpi seems to work fine for all, so I wonder if something had changed with the GUI behavior and/or installation procedure between versions 2 and 3?

Mar 26 '21 22:03 lgorenstein

This looks like a bug in the container environment module for the 3.0.8 container. The relion mapping should be removed.

Mar 29 '21 16:03 samcmill

From the end-user prospective it feels like a bug/omission in the container though :) What's the best way to reach out to the containers folks?

Mar 29 '21 16:03 lgorenstein

https://forums.developer.nvidia.com/c/accelerated-computing/nvidia-gpu-cloud-ngc-users/container-hpc/30

Mar 29 '21 17:03 samcmill

Thanks, posted there: https://forums.developer.nvidia.com/t/relion-3-containers-lack-the-relion-gui/173632

Mar 29 '21 17:03 lgorenstein