Unbundling generator scripts

ghutchis · March 5, 2026, 8:15pm

We had a discussion about this recently, but I’m coming back around:

if users have to install all plugins (including generators, xtb, etc.) everything receives the same treatment and we avoid issues with read-only AppImage, etc. (For example, I’m slightly worried about MacOS code signing since we install into the app bundle itself.)
a huge fraction of users expect a range of input generators to be included
users without open network access / installation rights may have problems with unbundled plugins

I’m leaning towards unbundling everything, perhaps with a first launch suggesting people install the input generators.

Thoughts?

matterhorn103 · March 5, 2026, 8:39pm

My instinct says that as long as there’s a mechanism to install plugins from file, locally, without network access, it’s fine, because whichever system administrator can take care of things.

The most important thing is not requiring network access – I don’t think there is realistically any setup where the user does not have write access to the local user data location.

ghutchis · March 5, 2026, 8:46pm

I guess the other option is that generators (or other plugins) are included in the bundle, and avogadroapp copies them into the plugin directory if the user doesn’t have them. They can then be installed there.

ghutchis · March 5, 2026, 11:40pm

Okay, that’s what I’m trying now - copy and install…

github.com/OpenChemistry/avogadroapp

For bundled plugins, recursively copy and install (#760)

master ← ghutchis:fix-copy-bundled-generators

opened 11:39PM - 05 Mar 26 UTC

ghutchis

+72 -13

Avoids issues with write-only directories but keeps bundled plugins Developer… Certificate of Origin Version 1.1 Copyright (C) 2004, 2006 The Linux Foundation and its contributors. 1 Letterman Drive Suite D4700 San Francisco, CA, 94129 Everyone is permitted to copy and distribute verbatim copies of this license document, but changing it is not allowed. Developer's Certificate of Origin 1.1 By making a contribution to this project, I certify that: (a) The contribution was created in whole or in part by me and I have the right to submit it under the open source license indicated in the file; or (b) The contribution is based upon previous work that, to the best of my knowledge, is covered under an appropriate open source license and I have the right under that license to submit that work with modifications, whether created in whole or in part by me, under the same open source license (unless I am permitted to submit under a different license), as indicated in the file; or (c) The contribution was provided directly to me by some other person who certified (a), (b) or (c) and I have not modified it. (d) I understand and agree that this project and the contribution are public and that a record of the contribution (including all personal information I submit with it, including my sign-off) is maintained indefinitely and may be redistributed consistent with this project or the open source license(s) involved.

brockdyer03 · March 6, 2026, 12:07am

Tried this just now, everything worked perfectly for me.
Here’s the steps I went through:

Downloaded AppImage build artifact
Completely removed all directories and files in .local/share/OpenChemistry/Avogadro
Launched the AppImage, clicked yes on the install
Everything went smoothly. Input generators took maybe half a second to populate, if that, and then worked fine after that.
Relaunched, was not prompted to install the generators, seems like success.

matterhorn103 · March 6, 2026, 12:25am

Well I can confirm it also works like a dream on my PC, amazing job

Though speaking of permissions issues, ~/.local/share/OpenChemistry/Avogadro/pyproject.toml is set to read-only for me, despite my user being the owner of the file, making it a bit laborious to delete. Just a small oddity.