To test

Last updated: 2026-10-24 evening. Hand checks waiting for a person at the screen. An item is added when a fix is merged and removed when it has been checked; anything that fails goes back to its issue. "In build" is the first commit that contains the fix: the package you test must be that build or later.

How to help: anyone can take an item. Install the build named (packages from the latest CI run on main, or build as in GETTING_STARTED.md), follow "How to test", and comment on the linked issue: what you did, what you saw, operating system and version, and a screenshot if something looks wrong.

Linux, on main

Check	How to test	What to look for	Issue	In build
Failed submit reason	Duplicate any Ready calculation; in the Launcher set Run Directory to a path you cannot write (e.g. /root/x) and Launch; then select the calculation in the Organizer. Fix the run directory and Launch again.	After the failure the status line under the Organizer table shows the reason (directory cannot be created); after the good launch the reason is gone.	#516	74adbbc6
No black flash	Click a GROMACS study in the tree, click another item, click the study again; delete a study task (e.g. a duplicated Optimize).	The Organizer window never turns black.	#523	7bc7ce9a
Progress box axes	Select a running or finished calculation (SCF/optimisation, and a GROMACS dynamics) and look at the Progress box plots.	Each plot has x ticks (ps for MD, step/cycle otherwise, spanning the whole run) and min/max on the y axis.	#530	next deb
Scan line wraps	Open a calculation with a scan constraint in the Calculation Editor (any run type).	The "Relaxed scan: ..." line wraps; the editor is no wider than without it.	#461	next deb

Branches waiting for review (review package)

Check	How to test	What to look for	Issue	In build
Polyoxometalates	Builder > Structure Library > Inorganic > Polyoxometalates (or Polyoxometalates on the older review deb); open several entries.	Each looks like the named ion, bonds sensible; six categories.	#405	review deb
Teaching examples + QE import	File > Open Example Calculations > Teaching. File > Import Calculation, choose a pw.x output.	Sets import; the pw.x import gives cell, atoms, energy.	#447	review deb
Pre-parsed examples	File > Open Example Calculations, any set.	Imports in seconds; results the same as before.	#448	review deb
ECCE-QM IRC	From a converged ECCE-QM TS with frequencies: New calculation, run type IRC; Launch.	Both directions run; the IRC pane shows the path and energies.	#452	review deb

Windows / macOS (maintainers' test machines)

Check	How to test	What to look for	Issue	In build
Vibrations spectrum (Windows 11)	Maintainer test bed (caesium/NerdEgg), not for the Linux deb.	Spectrum shows one curve; peaks can be picked at once.	#445	9.3.3

Clusters

Check	How to test	What to look for	Issue	In build
Gaussian 16 Cartesian optimisation	Kebnekaise: Theory > Use Cartesian Coordinates, Save, Final Edit, Launch.	Route has Opt=(Cartesian); the job converges.	#488	9.3.3

Installs

Check	How to test	What to look for	Issue	In build
Install from scratch	Clean RHEL 9, Ubuntu 24.04, Debian trixie: client and server packages, each deployment mode.	Installs and first start work.	#193	9.3.3