Aiidalab-widgets-base

Latest version: v2.1.0

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2.2.0a1

What's Changed

Bugfixes :bug:
* Fix download of binary files in FolderDataViewer by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/579

Dev :construction:
* Only trigger publish on release.published event by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/572
* CI: Use uv installer instead of pip (take 2) by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/578
* Bump uv + minor CI cleanups by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/573
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/aiidalab/aiidalab-widgets-base/pull/580


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.2.0a0...v2.2.0a1

2.2.0a0

What's Changed

Breaking changes
* Drop support for py38 by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/557
* Move optimade dependency as extra dependency by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/554
* Replace optimade-client with ipyoptimade by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/553


Dev
* Update dev dependencies by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/556
* Remove deprecated load_documentation_profile for doc build by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/555
* Add test to latest and oldest supported aiida-core by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/558
* Add Dependabot config for updating GHAs by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/560
* Bump the gha-dependencies group with 6 updates by dependabot in https://github.com/aiidalab/aiidalab-widgets-base/pull/561
* Remove obsolete files by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/562
* Use Ruff by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/566
* CI: Add CODECOV_TOKEN secret by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/569
* New release workflow by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/570

New Contributors
* dependabot made their first contribution in https://github.com/aiidalab/aiidalab-widgets-base/pull/561

**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.1.0...v2.2.0a0

2.1.0

What's Changed

New features and improvements :hammer:
* Implement viewer representations by cpignedoli in https://github.com/aiidalab/aiidalab-widgets-base/pull/373
* Enhance cell editor by superstar54 in https://github.com/aiidalab/aiidalab-widgets-base/pull/372
* Draw bonds computed by ASE by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/535
* allow structures with different periodicity, add periodicity by AndresOrtegaGuerrero in https://github.com/aiidalab/aiidalab-widgets-base/pull/488
* StructureViewer: Print 3 decimal places for distance and angles by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/495
* Structure download section: add `extxyz` and `xsf` formats by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/501
* SmilesWidget: Canonicalize SMILES code by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/507
* Improve generation of tough SMILES by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/517
* Template resources setting by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/511
* App loading speed improvements:
* Lazy import optimade_client by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/496
* Bump traitlets to v5.9 by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/526

Bug fixes :bug:
* Computer setup: Fix core.local transport by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/502
* `CompResourcesWidget`: do not raise when computer test fails by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/506
* Fix .ssh/config file not being closed by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/513
* Fix threading issue when accessing user instance in _get_codes of ComputationalResourceWidgets by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/543

Documentation :memo:
* DOC: re-strucuture the doc folder by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/514
* Extend documentation for the viewers module. by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/515

Devops

* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/aiidalab/aiidalab-widgets-base/pull/494
* 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
* 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
* Fix Warning coming from ProcessFollowerWidget by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/512
* 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
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/aiidalab/aiidalab-widgets-base/pull/520
* 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
* Fix failed tests of resource setup after the resource database updated by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/538
* Add timeout to cod query test to avoid test hang by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/536
* Use GHCR image to avoid dockerhub pull rate limit by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/539
* Allow set key_filename/key_policy in computer configure by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/537
* Fix failed resources widget by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/544
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/aiidalab/aiidalab-widgets-base/pull/546


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

2.1.0rc0

What's Changed
* Draw bonds computed by ASE by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/535


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.1.0b1...v2.1.0rc0

2.1.0b1

What's Changed
* Bump traitlets to v5.9 by danielhollas in https://github.com/aiidalab/aiidalab-widgets-base/pull/526
* Fix the fail tests of resource setup after the resource database updated by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/538
* Add timeout to cod query test to avoid test hang by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/536
* Use GHCR image to avoid dockerhub pull rate limit by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/539
* Allow set key_filename/key_policy in computer configure by unkcpz in https://github.com/aiidalab/aiidalab-widgets-base/pull/537


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.1.0b0...v2.1.0b1

2.1.0b0

What's Changed
* Extend documentation for the viewers module. by yakutovicha in https://github.com/aiidalab/aiidalab-widgets-base/pull/515
* Implement viewer representations by cpignedoli in https://github.com/aiidalab/aiidalab-widgets-base/pull/373
* Enhance cell editor by superstar54 in https://github.com/aiidalab/aiidalab-widgets-base/pull/372


**Full Changelog**: https://github.com/aiidalab/aiidalab-widgets-base/compare/v2.1.0a0...v2.1.0b0

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