Skip to content

v0.6.0

Choose a tag to compare

@ml-evs ml-evs released this 08 Aug 18:00
· 32 commits to main since this release
0850aff

This release includes a frankly comical number of changes, spanning significant new functionality and UI redesign, a fledgling plugin ecosystem, as well as several bug and quality-of-life fixes, performance improvements and backwards-compatible API enhancements.

A more regular release cadence will resume after the summer, with fewer release candidates next time around!

Warning

This release also bumps the supported MongoDB version all the way from v3 to v8. Whilst older MongoDB versions should still continue to work, version 8 will now be tested and used in the docker builds, so we recommend you upgrade. For existing databases this requires you to first dump the database using mongodump with the old MongoDB version, then upgrade to the new version and restore the database with mongorestore. If you unsure about this process then please ask us for help!

Highlights

  • Extra functionality for all data tables: column selection, persistent user preferences and improved filtering.
  • Improved inventory management: native UI for hazard labels, CAS numbers and external barcodes, complementing the first release of the datalab-cheminventory-plugin for two-way sync with cheminventory.net.
  • Starting materials can now also have synthesis information recorded for them.
  • New blocks for UV-Vis data and in situ NMR data (developed in separate core plugin at datalab-app-plugin-insitu), as well as new file formats supported in the XRD (Rigaku's .rasx, variants of .xy), NMR (JCAMP-DX) blocks and media block (PDF documents).
  • A fledgling plugin ecosystem with ways to easily add new blocks to a specific datalab instance (docs), with datalab-server PyPI package for easier dependency management.
  • Improved item search throughout the API, removing the need to search on whitespace or punctuation delimited words (e.g., ID matches will now begin after just 3 characters, rather than needing to type a full ID).
  • More powerful UI block interactions via "events" that can be written purely Python (docs).

Full Changelog: v0.5.2...v0.6.0