Thanks for giving it a shot, Mark!
Okay, I think I’ve fixed both of @myoung issues in the latest continuous build:
- doesn’t hang
- should ensure builds on Mac and Windows always get vibrations, etc.
I tried opening the .g16 file from the MacOS command line with Avogadro2 but saw nothing in the terminal and just the same errors in the GUI when it launched. I am not sure this is what you were asking but I am not aware of how Avogadro might be used with a CLI.
Of course. I would like to see this work for all of us.
Sorry. The easiest way on the Mac is something like:
% /Applications/Avogadro2.app/Contents/MacOS/Avogadro2
(Don’t worry, you can type a few characters and type tab to auto-complete. Or copy and paste if it’s in /Applications/ on your Mac.
You’ll see bits like:
Avogadroapp version: 2.0.0-33-g61925f9
Avogadrolibs version: 2.0.0-299-g434cf698
Qt version: 6.10.1
qt.core.qobject.connect: QObject::connect(QObject, Unknown): invalid nullptr parameter
SSL version: "OpenSSL 3.6.0 1 Oct 2025"
preferred language is: "en-US"
Using locale: "en_US"
qt Translation successfully loaded.
registering GPL plugins
RPC server listening on: "/var/folders/_1/cq6fl4k101ldfh08h5hjcjlw0000gn/T/avogadro"
Open Babel formats ready: 143
Ah. I should have thought of that. Not much detail when opening .g16 file:
-With the nightly build (from 3 days ago): Setting default format to cjson.
-With the current build: current version is newer than latest release (“with user script:cclib” message in GUI).
-With the continuous build just posted: no additional message but same error in GUI. The continuous build does not hang now when opening the file with a .out extension (but still gives an error and won’t open the file).
Just for completeness here is the terminal output on launch (continuous build):
Avogadroapp version: 2.0.0
Avogadrolibs version: 2.0.0
Qt version: 6.10.1
qt.core.qobject.connect: QObject::connect(QObject, Unknown): invalid nullptr parameter
SSL version: “Secure Transport, macOS Sequoia (15.7.9)”
preferred language is: “en-US”
Using locale: “en_US”
qt Translation successfully loaded.
registering obmm plugins
“/Applications/Avogadro2.app/Contents/MacOS/obabel” found: “/Applications/Avogadro2.app/Contents/MacOS/obabel: Open Babel 3.2.0 – Aug 11 2026 – 04:32:47”
Error starting RPC server: “QLocalServer::listen: Address in use”
Starting new server.
RPC server listening on: “/var/folders/0g/42wb9xbx7db5jj0wbsl07sx80000gn/T/avogadro”
Open Babel formats ready: 143
Mm, seems like it might be a bug in the cclib plugin. Can you remove that and try again? I’m quite confident that the out-of-the-box nightly build should work.
That was the ticket. I could open Zoe’s .g16 file in the current, nightly, and continuous builds without error. The Vibrational Mode window opened and I could animate modes. This also allowed me to open the Spartan output files, with the .qcout extension, that I had discussed in another thread. Vibrational Modes also available there.
I guess I will wait to for an update to the cclib extension.
Thanks!