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pemsley / coot

Software for macromolecular model-building
http://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/
GNU General Public License v3.0
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Coot in Apptainer #136

Open jamesgspercy opened 6 months ago

jamesgspercy commented 6 months ago

I was wondering if there are any known issues running the latest Coot in an Apptainer container?

I tried to compile on Rocky 9.4 but couldn't figure out the exact cause of the issue after investigating the logs...

I decided to try an install Coot in an Apptainer container using a definition file based on Fedora 40 and using the information from the Coot development blog which compiled Coot successfully.

It appears to work and is utilizing the Nvidia drivers on the host workstation. Is there anything to look out for as Coot is running?

Thanks!

pemsley commented 6 months ago

I had to look up what Apptainer was.

.. but couldn't figure out the exact cause of the issue after investigating the logs...

Not easy even for me.

Generally speaking: the Coot build log should tell you where configure fails and then go back to look at that particular log.

Usually the problem is Python or PyGObject.

Is there anything to look out for as Coot is running?

Do you see a change in the frame-rate when you turn on "Fancy" shader settings?

Maybe you can get this working with mangohud to find out.