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Work plan
Last updated: 2026-10-09. This page lists what is being worked on now and the order of what comes next. It is updated as items are finished or the order changes; the issue tracker has the details of each item. There are no dates; the order is the order of work, not a schedule.
8.x (stable-8, latest v8.18.10)
receives bug fixes only. Everything else on this page is 9.x work on main.
Security fix backported from 9.0: with password login to a compute machine, the job monitor could send that password to the data server, and such jobs were not monitored (#204, #138). 8.18.10: after Symmetry > Find, the Calculation Editor no longer shows too many atoms and electrons.
Released: 9.0.0-alpha.9
Bug fixes for alpha.8: Windows user names with a space (#247); saving input from Windows to a data server; TLS server chosen at first start; Symmetry > Find showed extra atoms in the Calculation Editor (also in 8.x); the first-start question on Linux; "Use this computer instead…" in the login window; the MO diagram is built only when it is opened.
Released: 9.0.0-alpha.8
The latest preview, released to collect bug reports from the new clients. The release notes have the details; the previous preview was 9.0.0-alpha.7.
- Windows client (#133): a per-user MSI installer and a zip, with Perl, Python and wxPython included; MOPAC, ORCA and ECCE-QM jobs checked end to end on a Windows 10 PC.
- ECCE-QM: a built-in Hartree–Fock/DFT engine (RHF/UHF/ROHF; SVWN, PBE, B3LYP, PBE0; five basis sets), energies within 2e-6 Eh of ORCA; input checks in Verify and a help page for its files.
- First start asks "Store data on this computer" or "Connect to a server" on every platform (#240).
- macOS: Python and wxPython inside ECCE.app; Retina viewer, Terminal and relocation fixes; jobs checked end to end on macOS 10.15.
- Builder: property displays follow the open panel, with a "Show in viewer" switch; Teaching > Diatomics structures; calmer element buttons; new tool icons drawn as push buttons.
- GROMACS MD studies, experimental (#106).
- Fixes: Quantum ESPRESSO periodic builder and job status; ORCA MOs with a spherical basis; vibration panel crash (#244); clipped controls on small screens; Ball and Stick default and 3 px wireframe (#227).
| # | Item |
|---|---|
| 1 | Bug reports on 9.0.0-alpha.9, Windows and macOS first (#133). |
| 2 | ssh keys in Register Machines (#245): offer to create and copy a key, passphrase in the system keychain. |
| 3 | ECCE-QM (#248): geometry optimisation, then frequencies; size limits from laptop benchmarks. |
| 4 | Windows and macOS clients against a central server: a real two-machine test. |
| 5 | GROMACS (#106): the MD workflow beyond the first step, the MINFF force field (#241) and a Force Field Tool (#242). |
| 6 | Site configuration from the server (#192): stage 3. |
| 7 | Local broker with a remote data server (#246): investigate. |
| 8 | Look (#210): more realistic icons; redesigned periodic table; white viewer background as default (to consider). |
| 9 | Help screenshots and remaining notes (#219, #12). |
| 10 | Create account in the login dialog (#203). |
| 11 | Vibrational spectra (#173) and contour maps (#215). |
| 12 | Initial guess from a completed job's MOs (#75). |
| 13 | TLS follow-ups (#236) and the ssh transport checklist (#204). |
| 14 | NWChem basis names (#118), basis library in server mode (#119). |
| 15 | Removing the vendored SGI Open Inventor (#166). |
- macOS (#133): use of the apps on real Macs, including older hardware.
- Quantum ESPRESSO: energy plot of the geometry trace, valence electron count in the Calculation Editor, bond lengths of added hydrogens.
- Bond visibility (#227), together with the look of the program (#210).
- GROMACS: see item 4 above.
- CP2K, after GROMACS (#130).