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History

2026.10.30 – Bugfix: lists of values lost their backslashes (Z double bonds in SMILES)

• A list of values typed for a parameter with one or more values was split with shlex.split, which treats a backslash as an escape and drops it. A list of SMILES such as C/C=C/C C/C=C\C gave C/C=CC for the Z isomer, so the job built it as E or with the stereo unspecified, unless each value was quoted. The values are now split keeping backslashes; quotes work as before. Lists of file names are split as before.

2026.10.19 – Bugfix: a value starting with ‘-’ stopped the job

• A flowchart’s parameter whose value started with ‘-’, such as the range -20:20:20, was taken by the job for an option, and the job stopped before starting. Single values are now passed as –name=value.

2026.10.1 – Bugfix: job files listed, and files after a loop uploaded

• Job.list_files() found no files: it tested the whole listing rather than each entry, and failed with KeyError: 'parent' on the new web UI, which lists {"path", "size"} entries. It now reads both dashboards’ listings and returns the paths relative to the job, as before.

• Dashboard.submit() found the flowchart’s steps by following only the “next” edges, so it stopped at a loop: a Parameters step, or the files a step needs, inside or after a loop were missed and not uploaded. It now follows every edge.

• Internal: CI now installs the package’s declared dependencies with uv rather than a conda test environment; the test and docs extras declare what the tests and docs need beyond the standard tooling.

2026.8.11 – Bugfix: no way to trust a self-signed dashboard TLS certificate

• Dashboard gained a verify parameter (default True, matching requests’ own default – no change for any existing caller). False disables certificate verification entirely (insecure); a path to a certificate file verifies against that specific certificate instead of the system trust store – e.g. a self-signed seamm_webui certificate generated for a non-loopback bind, which requests previously had no way to trust at all, hard-failing every request with SSLCertVerificationError.

• A certificate path does genuine certificate pinning, not just a custom CA: it also skips the hostname/SAN match requests normally still enforces even once a certificate’s signature is trusted, since a self-signed certificate’s SAN list (the machine’s own reported hostname) can legitimately differ from the DNS name a client actually reaches it through (confirmed for real: a seamm_webui certificate listing only its VT-campus-internal FQDN, reached instead via a separate public DNS alias). Fetching the exact certificate file out-of-band already establishes “this is the server I mean” – the same property a hostname check approximates when verifying against a general CA that could have signed a certificate for any host.

2026.8.10 – Multi-queue job submission, and two real seamm_webui compatibility bugs

• Dashboard.list_queues(): lists the queues (clusters, or a plain local target) the dashboard’s paired JobServer can route jobs to, with each field’s override limits – empty (not an error) against a dashboard that doesn’t support this. Dashboard.submit() gained queue=/slurm_overrides= keyword arguments to request a specific queue and per-job SLURM resource overrides; omitted entirely from the submitted job’s parameters when not given, so existing callers are unaffected.

• Bugfix: Dashboard.login() treated a blank username/password ("") differently from not providing one at all (None), POSTing empty credentials as if real – rejected by the dashboard, breaking login against any dashboard running with no authentication required. A blank credential now skips the login attempt entirely, the same as None already did.

• Bugfix: Dashboard.list_projects() only worked against the old Flask-based dashboard’s GET /api/projects/list endpoint – seamm_webui has no such route at all and returned an error. Switched to GET /api/projects (returns full project records instead of bare names) and extracts the names client-side; this endpoint exists, with the same project-name field, on both dashboard implementations, so list_projects() now works against either without needing to know which one it’s talking to.

2026.8.8 – Bugfix: login() failed against dashboards with no CSRF cookie

• Dashboard.login() raised DashboardLoginError if a dashboard’s login response had no CSRF cookie, even though the login itself succeeded. Some dashboards (e.g. the new seamm_webui) don’t use a CSRF cookie at all; a missing one is now treated as “nothing extra to send” rather than a failure.

2025.10.31 – Improved handling of timeouts

• Actually increased the default timeouts to 60s.

• Improved error messages to help diagnose problems with timeouts.

2025.4.3 – Increased timeout for HTTP requests

• Increased the default timout to 5 seconds, and 60 seconds for submitting jobs to allow time to transfer files.

2024.6.27 – Added support for using local files in Jobs

2024.5.23 – Bugfix: crash opening a flowchart from a Dashboard

• SEAMM could crash when asking the Flowchart Open dialog to get the flowchart from a previous job. This only happened if the Dashboard was known but the stored password was wrong.

2024.4.22 – Moving user preferences to ~/.seamm.d

• Added better output when there are failures in the Dashboard.

• To better support Docker, moving ~/.seammrc to ~/.seamm.d/seamrc

2023.11.15 – Bugfix: boolean options now work

• Boolean options were not handled correctly when submitting jobs.

2023.10.24 – Improvement for job handling.

• Added control parameters to the data stored for the job, to support filling out menus identical to how the job was submitted.

2023.7.29 – Bugfix: error if no required parameters

• Apparently can’t use ‘–’ without subsequent parameters.

2023.7.10 – Corrected handling of control parameters

• Now handle control parameters with multiple values.

• Separate the options from required parameters with ‘–’ as required.

2023.6.28 – Improved error messages for login failures.