July 13, 2023

Release 2023.7.13

Release 2023.7.13 contains a major update to the platform layout UX, additional features, some bugfixes, and improvements. We highlight (1) New web application layout codename “Mat3rialize”, (2) Workflow Designer: the Units Flowchart as a flowchart demonstrating the logical units and their connections; and (3) support for Quantum ESPRESSO v7.2 with libxc in the web application.

Overview

Release 2023.7.13 contains a major update to the platform layout UX, additional features, some bugfixes, and improvements. We highlight (1) New web application layout codename “Mat3rialize” with Top bar, sidebar, account menu, in-page navigation/ breadcrumbs all updated to make the navigation around the app more intuitive, (2) in the Workflow Designer: the Units Flowchart component is now implemented as a flowchart demonstrating the logical units involved in the workflow and their connections and data flow with the ability to zoom-in and zoom out and auto-arrange the units; and (3) add support for Quantum ESPRESSO v7.2 with libxc in the web application.

Features

  • New web application layout: “Mat3rialize”. Updated Top bar, sidebar, account menu, navigation/ breadcrumbs
  • Workflow Designer: Units Flowchart implemented as a flowchart (more in our online documentation)
  • Quantum ESPRESSO 7.2 support added in the web application

Improvements

  • Remove “Charge for the whole hour” and use a flat fee provision charge (5 min) instead.
  • Update the documentation for job charging

Fixes

  • Improved web application bundle size and load times
  • Other minor bugfixes

For Developers

  • API examples updated with new versions of dependencies and asserted operational status
  • Added linters and style checkers + reformatted the python codebase on GitHub

Highlight: New webapp layout

We highlight the New web application layout: codename “Mat3rialize”. We've update the navigation through the application including the updated Top bar, improved sidebar, the more informative user/account menu dropdown, and the introduction of the navigation/ breadcrumbs bar allowing to navigate between the nested locations in the interface (think "path" in the filesystem).

The new layout in action

Highlight: Units Flowchart

The Units Flowchart component is now implemented as a flowchart demonstrating the logical units involved in the workflow and their connections and data flow with the ability to zoom-in and zoom out and auto-arrange the units. See it in action below.

Units Flowchart review for an example k-point convergence workflow

Highlight: Quantum ESPRESSO 7.2

After introducing support for it in the command-line first, we add support for Quantum ESPRESSO v7.2 (with libxc) in the web application.

Selecting QE 7.2 in the web interface

Try the new functionality online at https://platform.mat3ra.com/