Skip to main content

CMS Plots

GitHub pull requests Build Status Code Coverage Code Quality Documentation Status PyPi VERSION

Description

Utilities for creating plots for computational materials/molecular science (CMS)

This package provides tools for creating plotly graphs for e.g. band structure, DOS, and other specialized plots for CMS applications.

Features

  • Density of states (DOS) plots

  • Band structure plots

  • Combined band structure & DOS plots

Credits

This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award ACI-1547580

History

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.

2022.8.13 (13 August 2022)

  • First release of a working version on PyPI.

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

seamm_dashboard_client-2026.8.11.tar.gz (52.4 kB view details)

Uploaded Source

Built Distribution

If you're not sure about the file name format, learn more about wheel file names.

seamm_dashboard_client-2026.8.11-py2.py3-none-any.whl (16.2 kB view details)

Uploaded Python 2Python 3

File details

Details for the file seamm_dashboard_client-2026.8.11.tar.gz.

File metadata

File hashes

Hashes for seamm_dashboard_client-2026.8.11.tar.gz
Algorithm Hash digest
SHA256 13ed22886819221d868c8755c8b1dc9ea6117ceb5cf6f89431892c3789c4d825
MD5 c0e8b997e323ac7a026b04575473f5ae
BLAKE2b-256 3a8006531f9b66fb02a1023989107d0ce2404cc995d3e8bc31e54f4f115899cc

See more details on using hashes here.

File details

Details for the file seamm_dashboard_client-2026.8.11-py2.py3-none-any.whl.

File metadata

File hashes

Hashes for seamm_dashboard_client-2026.8.11-py2.py3-none-any.whl
Algorithm Hash digest
SHA256 f3499d85490bfc87fce2719736c00cca3fc3da9eb637ace1ff8335468cce7fa6
MD5 79bb43756236257f5faaf5eceab2706d
BLAKE2b-256 a445a18937848453163b6da1f8188a1c15714681a588e21ae126c5410e560f4f

See more details on using hashes here.

Release history Release notifications | RSS feed

This release

2026.8.11 This release

2 files

2026.8.10

2 files

2025.10.31

2 files

2024.6.27

2 files

2024.5.23

2 files

2024.4.22

2 files

2023.11.15

2 files

2023.10.24

2 files

2023.7.29

2 files

2023.7.10

2 files

2023.6.28

2 files

2022.9.1

2 files

2022.8.30.1

2 files

2022.8.30

2 files

2022.8.29

2 files

Anthropic, PBC Visionary sponsor Bloomberg Visionary sponsor Hudson River Trading Visionary sponsor Meta Visionary sponsor NVIDIA Visionary sponsor Microsoft Sustainability sponsor Depot Continuous Integration AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page