pip installed packages in .local/ break when Python version changes

[danielhollas]

Hi all,

just reporting my observation that when I tried to update to the new full-stack image, I noticed that packages installed locally via pip into ~/.local broke since the python version was updated. I guess this is a general issue, and not sure what the solution is.

Perhaps aiidalab should offer an option to automatically reinstall all apps? I guess this might be needed in addition to the Postgres migration if we need a clean migration path.

[unkcpz]

Thanks @danielhollas, do you mean that you use the aiidalab/aiidalab-docker-stack image with aiida-core 1.x and change it to full-stack? I think full-stack image won't use the ~/.local anymore but the package will be installed to the site-packages folder under /opt/conda/base?

[danielhollas]

That's a good point. Are we sure that if the .local exists already, that it will be ignored in the full-stack image?

It's possible I saw the error when just upgrading the old aiidalab/aiidalab-docker-stack, since there was a Python version upgrade as well. But this is something that definitely needs closer look.

cc @yakutovicha @csadorf

[yakutovicha]

The feature is there, but not documented, as usual =)

Here is an issue to add a button for the reset functionality of AiiDAlab: aiidalab/aiidalab-home#53

The script can be found here: https://github.com/aiidalab/aiidalab-docker-stack/blob/main/stack/lab/before-notebook.d/50_factory-reset.sh

To cover your use case, I believe it is enough to add to your home folder a file called AIIDALAB_FACTORY_RESET with the content 0b001.

[danielhollas]

Oh cool, thanks! I'll give it a try when I get to it.

I was also thinking that it would be good to have a profile switching ability (this is alluded to in this comment . Not sure if this has been discussed, if not I'll open an issue and maybe try to discuss a bit at the next meeting.