seamm-dashboard-client 2024.5.23

A Python client for the SEAMM Dashboard RESTful API.

CMS Plots

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.

• Free software: LGPL.v3 or later

• Documentation: https://molssi-seamm.github.io/seamm_dashboard_client/index.html

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

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.