openmm-tutorial-msbs VSC setup broken

Setting up the environment on VSC does not work anymore in my case. Following the instructions, I can no longer open Jupyter Lab. When clicking the launch button, the session is prepared but is closed before ever opening. From the output, it seems that the session Timed out waiting for Jupyter Lab server to open port 7298!. I cannot find an immediate solution...

@tovrstra : Can you reproduce this?

Also some settings have changed, meaning that we might have to adapt setup_vsc.md.

Oct 01 '24 13:10 jeveki

Thanks for bringing this up.

I could indeed reproduce it and it should be fixed now in the latest commit.

The problem was that JupyterLab took more than 60 seconds to start, in which interactive app in OnDemand just times out and produce the error you saw.

If you test the new version, it may be useful to first remove the old venvs directory, just to make sure that none of the extensions removed from the installation keep lingering around.

I'll leave the issue open until you've been able to test it.

Oct 02 '24 15:10 tovrstra

Works like a charm. I made some minor changes to setup_vsc.md to represent the latest version of the Jupyter lablaunching page.

Oct 07 '24 11:10 jeveki

Thanks!

Oct 09 '24 17:10 tovrstra