Release 2023.4.13

Overview

Release 2023.4.13 contains several new features, bugfixes, and improvements. We highlight (1) Pro Search functionality with autocomplete for MongoDB queries; (2) the ability to sort columns in all entity explorer tables - e.g. Materials, Jobs, Workflows; and (3) the ability to name jobs based on the name of the corresponding Material or its other keys.

Features

• Implemented Pro Search
• Add sorting for all columns in Entity Explorer Tables
• Implement a way to name jobs using material file name (and other keys)
• New Login and Registration UI
• Add Quantum ESPRESSO versions available on the command-line interface (from 5.2 to 7.0)

Improvements

• Add an option to filter jobs by status using Advanced Search
• Improve behavior of Autocomplete: in saved search on a select item, close dropdown
• Inputs or labels with dashed underline only for editable items
• Indicate the loading progress with a header loader bar when navigating between pages
• Improved UI for the billing and payments page
• Move the support widget to the sidebar
• Reset search state when switching between search types

Fixes

• exporting large charts as PDF
• empty requirements.txt causing error during Python script execution
• disallow usernames starting with a number
• email notifications for >= 2 users
• materials viewer does not show material after switching tabs
• jumping scroll behavior when entity tabs reach the main nav bar

For Developers

• Replace docker images in materials-designer CI with a prebuilt one for faster builds

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Highlight: Pro Search

We highlight the added ability to run "pro" level search queries based on native MongoDB query syntax. We implemented a autocomplete-based suggestions that highlight the keys that are present in the documents and the native query operators available. In the example below we search for all materials in the bank that contain Zn and have more than 10 atoms in the unit cell. We then also save the query for future reuse by all account/team members.

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Highlight: Sort Table columns

We highlight the ability to sort tables based on one or multiple columns. In the demonstration below we sort the items in the bank Materials collection by their creation date first, then by formula and lattice/symmetry type.

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Highlight: Using Material data to name jobs

We implemented a way to use data contained in materials to name jobs correspondingly. This is done with the help of templating the name using Jinja syntax. In the example below we use the `formula` key from each of the two materials that are selected during the job creation to prepare and name the jobs accordingly. Any other keys present in the material object - e.g. name, description, tags - can be used instead by modifying the template variable.

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Try online at https://platform.mat3ra.com/

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