v2.1.0b1

What's Changed

• Bump traitlets to v5.9 by @danielhollas in #526
• Fix the fail tests of resource setup after the resource database updated by @unkcpz in #538
• Add timeout to cod query test to avoid test hang by @unkcpz in #536
• Use GHCR image to avoid dockerhub pull rate limit by @unkcpz in #539
• Allow set key_filename/key_policy in computer configure by @unkcpz in #537

Full Changelog: v2.1.0b0...v2.1.0b1

v2.1.0b0

What's Changed

• Extend documentation for the viewers module. by @yakutovicha in #515
• Implement viewer representations by @cpignedoli in #373
• Enhance cell editor by @superstar54 in #372

Full Changelog: v2.1.0a0...v2.1.0b0

v2.1.0a0

What's Changed

• StructureViewer: Print 3 decimal places for distance and angles by @danielhollas in #495
• allow structures with different periodicity, add periodicity by @AndresOrtegaGuerrero in #488
• Bump scikit-learn by @danielhollas in #498
• Make notebook tests less flaky by @danielhollas in #497
• Lazy import optimade_client by @danielhollas in #496
• Structure download section: add extxyz and xsf formats by @yakutovicha in #501
• Add the concurrency setup to CI workflow by @unkcpz in #503
• Remove leftover load profile by @unkcpz in #481
• StructureViewer Download tab: pass file format explicitly by @danielhollas in #504
• Get rid of deprecation warnings in computational_resources.py by @danielhollas in #508
• Computer setup: Fix core.local transport by @danielhollas in #502
• SmilesWidget: Canonicalize SMILES code by @danielhollas in #507
• CompResourcesWidget: do not raise when computer test fails by @yakutovicha in #506
• Fix Warning coming from ProcessFollowerWidget by @danielhollas in #512
• DOC: re-strucuture the doc folder by @unkcpz in #514
• Fix .ssh/config file not being closed by @danielhollas in #513
• Improve generation of tough SMILES by @danielhollas in #517
• Remove openbabel dependency by @danielhollas in #518
• Use mock home and monkeypatch ssh parser for ssh config testing by @unkcpz in #523
• Remove warnings in unit tests by @danielhollas in #509
• Fix/xx/increase timeout of di test by @unkcpz in #529
• Template resources setting by @unkcpz in #511

Full Changelog: v2.0.1...v2.1.0a0

v2.0.2

What's Changed

• StructureViewer: Print 3 decimal places for distance and angles by @danielhollas in #495
• Allow structures with different periodicity, add periodicity by @AndresOrtegaGuerrero in #488
• Bump scikit-learn by @danielhollas in #498
• Make notebook tests less flaky by @danielhollas in #497
• Lazy import optimade_client by @danielhollas in #496

Full Changelog: v2.0.1...v2.0.2

v2.0.1

What's Changed

• ProcessCallStackWidget: Fix calc_info signature for aiida-core 2.4 by @danielhollas in #491
• updating spglib to 2.0.2 by @AndresOrtegaGuerrero in #487
• SmilesWidget: Fix generation of 1- and 2-atom molecules by @danielhollas in #489

Full Changelog: v2.0.0...v2.0.1

v2.0.0

What's Changed

• Migrate widgets to 2.x by @unkcpz in #344
• 10 mins are too short for notebook CI tests by @unkcpz in #380
• UUID as traitlets for threading related widgets by @unkcpz in #375
• Clean AiiDAV3 deprecation warnings by @danielhollas in #388
• Two more deprecated APIs with AIIDA_WARN_v3=1 for QeApp by @unkcpz in #390
• Clean up dependencies requirements by @unkcpz in #395
• Install Firefox/geckodriver in GH workflow for the test by @unkcpz in #397
• Using new code create API by @unkcpz in #394
• Update flake8 config for flake8>=6 by @yakutovicha in #399
• Chore: maintain pre-commit checks by @yakutovicha in #400
• Require aiida-core>=2.1 by @danielhollas in #403
• Code quick setup can have the computer label in its dropdown as a placeholder before the computer is set by @unkcpz in #408
• CI improvement and clean up by @unkcpz in #410
• Take screenshots in notebook tests and upload them as artifacts by @danielhollas in #411
• Fix/406/default calc job plugin by @unkcpz in #409
• Work on pre-commit hooks, and small readme update by @yakutovicha in #401
• Manifest the issue of setting multiple codes by @unkcpz in #415
• Delayed import of scikit-learn and pandas + other dependency tweaks by @danielhollas in #412
• CI: Configure pre-commit schedule to run quarterly by @danielhollas in #424
• Add screenshot teardown fixture - approach 1 by @danielhollas in #421
• Use displayed_structure to create selection info by @superstar54 in #371
• Bump isort to fix pre-commit CI build by @danielhollas in #428
• Fix/configure tabs by @AndresOrtegaGuerrero in #429
• ProcessMonitorWidget: Print traceback for callback exceptions by @danielhollas in #427
• Resolve new flake8-bugbear error B028 by @yakutovicha in #442
• Support the inputs namespace for process inputs check widget by @unkcpz in #435
• Measure the test coverage by @yakutovicha in #441
• fix bug report to use the new return type of find_installed_packages by @unkcpz in #446
• Add tests for computational_resources module by @yakutovicha in #448
• Add tests to the structure module, a small modification to the module itself by @yakutovicha in #453
• Add tests to the viewers module and slightly improve its styling by @yakutovicha in #450
• Test and update process module by @yakutovicha in #455
• Test and update databases module by @yakutovicha in #458
• Update the pymysql version restriction to ~=0.9 by @yakutovicha in #465
• pin the widgetsnbextension version < 3.6.3 by @unkcpz in #467
• Test and update the elns module by @yakutovicha in #464
• Test nodes module by @unkcpz in #468
• Test for export button widget by @unkcpz in #469
• Test and update the wizard module by @yakutovicha in #466
• Update README.md on how to bumpver on tag num by @unkcpz in #470
• Use aiida_structuredata as the transition state of a query by @unkcpz in #472
• Add test for the ProcessMonitor widget by @yakutovicha in #478
• ProcessMonitor: Increase default timeout by @danielhollas in #480
• Remove spinning Thread from WizzardAppWidgetStep by @danielhollas in #479

New Contributors

• @AndresOrtegaGuerrero made their first contribution in #429

Full Changelog: v1.4.2...v2.0.0

v2.0.0b6

What's Changed

• Update README.md how to bumpver on tag num by @unkcpz in #470
• use aiida_structuredata as transition state of query by @unkcpz in #472

Full Changelog: v2.0.0b5...v2.0.0b6

v2.0.0b5

What's Changed

• pin the widgetsnbextension version < 3.6.3 by @unkcpz in #467
• Test and update the elns module. by @yakutovicha in #464
• Test nodes module by @unkcpz in #468
• Test for export button widget by @unkcpz in #469
• Test and update the wizard module by @yakutovicha in #466

Full Changelog: v2.0.0b4...v2.0.0b5

v2.0.0b4

What's Changed

• Update the pymysql version restriction to ~=0.9 by @yakutovicha in #465

Full Changelog: v2.0.0b3...v2.0.0b4

v2.0.0b3

What's Changed

• Resolve new flake8-bugbear error B028 by @yakutovicha in #442
• Support the inputs namespace for process inputs check widget by @unkcpz in #435
• Measure the test coverage by @yakutovicha in #441
• fix bug report to use the new return type of find_installed_packages by @unkcpz in #446
• Add tests for computational_resources module by @yakutovicha in #448
• Add tests to the structure module, small modifications to the module itself. by @yakutovicha in #453
• Add tests to the viewers module and slightly improve its styling by @yakutovicha in #450
• Test and update the process module by @yakutovicha in #455
• Test and update the databases module by @yakutovicha in #458

Full Changelog: v2.0.0b2...v2.0.0b3