Aiidalab-widgets-base

Latest version: v2.2.2

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2.1.0a0

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


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.0.1...v2.1.0a0

2.0.2

What's Changed
* StructureViewer: Print 3 decimal places for distance and angles by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/495
* Allow structures with different periodicity, add periodicity by AndresOrtegaGuerrero in https://github.com/aiidalab/aiidalab-widgets-base/pull/488
* Bump scikit-learn by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/498
* Make notebook tests less flaky by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/497
* Lazy import optimade_client by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/496


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.0.1...v2.0.2

2.0.1

What's Changed
* ProcessCallStackWidget: Fix calc_info signature for aiida-core 2.4 by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/491
* updating spglib to 2.0.2 by AndresOrtegaGuerrero in https://github.com/aiidalab/aiidalab-widgets-base/pull/487
* SmilesWidget: Fix generation of 1- and 2-atom molecules by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/489


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.0.0...v2.0.1

2.0.0

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

New Contributors
* AndresOrtegaGuerrero made their first contribution in https://github.com/aiidalab/aiidalab-widgets-base/pull/429

**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v1.4.2...v2.0.0

2.0.0b6

What's Changed
* Update README.md how to bumpver on tag num by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/470
* use aiida_structuredata as transition state of query by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/472


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.0.0b5...v2.0.0b6

2.0.0b5

What's Changed
* pin the widgetsnbextension version < 3.6.3 by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/467
* Test and update the `elns` module. by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/464
* Test nodes module by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/468
* Test for export button widget by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/469
* Test and update the `wizard` module by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/466


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.0.0b4...v2.0.0b5

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