v23.10.1

What's Changed

• Docs update on running docker container with docker desktop by @edan-bainglass in #586
• Add links and instructions on running with Quantum Mobile images by @unkcpz in #588
• Bump aiida-quantumespresso to 4.4.0 and unpinning pydantic by @unkcpz in #591
• Use ruff as code formatter by @unkcpz in #593
• aiidalab-widgets-base bump to use final release 2.1.0 by @unkcpz in #597

Full Changelog: v23.10.0...v23.10.1

v23.10.0rc1

What's Changed

• Removing hardcoded values of NSCF by @AndresOrtegaGuerrero in #568
• DevOps: from forked repo not trigger push and arm64 image build by @unkcpz in #573
• Fix AddingTagsEditor Bug by @AndresOrtegaGuerrero in #574
• DOC: new docker stack update and more by @unkcpz in #572
• Confirm structure and configuration steps when loading previous result by @superstar54 in #570
• Bump SSSP to 1.3 by @unkcpz in #578
• Bump artifact action to v4 by @unkcpz in #584

Full Changelog: v23.10.0rc0...v23.10.0rc1

v23.10.0

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #378
• 0x1: Move QeAppWorkChain into the workflow module by @unkcpz in #379
• Remove deprecated workchain update instruction by @unkcpz in #389
• bump AWB to released 2.0 by @unkcpz in #394
• Move module imports from init.py of package to app modules by @unkcpz in #393
• ♻️ decouple override settings of builder by @unkcpz in #382
• Fix transfer to final step issue by @unkcpz in #399
• pre-commit: using nbqa for notebook lint by @unkcpz in #396
• seprate workchain selector to be extendable by @unkcpz in #401
• bump to use qe 7.2 from conda-forge by @unkcpz in #404
• Using new bumpver to support backport version release by @unkcpz in #405
• Feature/adv tot charge by @AndresOrtegaGuerrero in #402
• Restrict pydantic to fix testing by @unkcpz in #416
• add PseudoDojo by @superstar54 in #387
• add version when installing pseudo by @superstar54 in #425
• Bump bumpver to 2023.1124 by @unkcpz in #427
• Feature: Starting Magnetization by @AndresOrtegaGuerrero in #409
• Feature/ Tags editor to define Kinds in StructureData by @AndresOrtegaGuerrero in #410
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #429
• Remove pinning pymatgen by @unkcpz in #431
• QEApp Documentation by @edan-bainglass in #414
• Add doc badge to README.md by @unkcpz in #433
• Doc: using the new propared qe image by @unkcpz in #434
• Add the concurrency setup to CI workflow by @unkcpz in #443
• Support using customize pseudopotential by @unkcpz in #435
• Pseudo setter override pseudos properly by @unkcpz in #445
• increasing the range of the magnetization floattext by @AndresOrtegaGuerrero in #447
• Move to App widget and call from notebook by @unkcpz in #442
• Standardize setting-like widgets with tests by @unkcpz in #451
• Plugin band by @superstar54 in #456
• Advanced override setting unification by @unkcpz in #457
• Add plugin entry point to workchain by @superstar54 in #458
• make pdos a plugin by @superstar54 in #459
• Merge advanced setting by @superstar54 in #461
• move get_configuration_parameters from submission to configuration by @superstar54 in #462
• use get and set for WorkChain settings by @superstar54 in #464
• add get and set for advanced settings by @superstar54 in #465
• use panel for workchain and advanced setting by @superstar54 in #467
• fix result tab by @superstar54 in #468
• Update README.md codecov by @unkcpz in #470
• Use label in WorkChainSelector by @superstar54 in #473
• load_profile explicitly in qe.ipynb by @unkcpz in #471
• fix override in get_panel_value for advanced by @superstar54 in #476
• remove hard coded inputs by @superstar54 in #478
• use uuid for pseudo by @superstar54 in #475
• Adding HTML widget to show the kpoint setting changes by @AndresOrtegaGuerrero in #480
• add test for workchain by @superstar54 in #472
• Fix the incorrect import in main module of codes setup by @unkcpz in #482
• Move docker stack build from docker stack to aiidalab-qe by @unkcpz in #449
• Remove hard coded codes from workflow by @superstar54 in #474
• Move report by @superstar54 in #481
• Allow structures with different periodicity by @AndresOrtegaGuerrero in #479
• Reload GUI parameters by @superstar54 in #485
• update nscf kpoints distance by @AndresOrtegaGuerrero in #446
• Add button to start new workflow by @unkcpz in #494
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #492
• Add clean-up button to control the remote work directory clean by @unkcpz in #497
• Reset GUI by @superstar54 in #489
• check if code is none in workchain by @superstar54 in #505
• fix pseudodojo in report and load_panel_value by @superstar54 in #507
• Fix/remove workchain output by @superstar54 in #510
• add entry point to structure_manager_widget by @superstar54 in #502
• Feature/kill button - adding the kill button on top of NodeTree by @mikibonacci in #500
• add code entry point by @superstar54 in #487
• Fix override by @AndresOrtegaGuerrero in #517
• remove blocker when updating code by @superstar54 in #521
• Bump awb to 2.1.0a0 by @unkcpz in #523
• Correct the regex to get version tag from tag by @unkcpz in #525
• Pre-install app by aiidalab install by @unkcpz in #532
• Feature/result multiple plugins by @unkcpz in #545
• DOC: add section on how to write plugin by @superstar54 in #463
• Detects the unsaved changes in the already confirmed steps. by @superstar54 in #537
• The default value of workdir clean button set to False by @unkcpz in #509
• Push to ghcr.io even when test fail by @unkcpz in #546
• fix bug on band_kpoints_distance for periodicity x and xy by @AndresOrtegaGuerrero in #547
• fix layout of the setting tab title for bands and pdos by @superstar54 in #555
• Bump aiidalab-widgets-base to version 2.1.0b0 by @AndresOrtegaGuerrero in #553
• use the function itself instead of the decorated calcfunction by @superstar54 in #556
• Remove unused leftover files by @unkcpz in #551
• Add more QE codes with the calcjob entry point by @superstar54 in #557
• Bump: bump aiidalab-widgets-base to version v2.1.0rc0 by @unkcpz in #558
• Removing hardcoded values of NSCF by @AndresOrtegaGuerrero in #568
• DevOps: from forked repo not trigger push and arm64 image build by @unkcpz in #573
• Fix AddingTagsEditor Bug by @AndresOrtegaGuerrero in #574
• DOC: new docker stack update and more by @unkcpz in #572
• Confirm structure and configuration steps when loading previous result by @superstar54 in #570
• Bump SSSP to 1.3 by @unkcpz in #578
• Bump artifact action to v4 by @unkcpz in #584

New Contributors

• @AndresOrtegaGuerrero made their first contribution in #402
• @edan-bainglass made their first contribution in #414

Full Changelog: v23.04.1...v23.10.0

v23.10.0rc0

What's Changed

• Bump: bump aiidalab-widgets-base to version v2.1.0rc0 by @unkcpz in #558

Full Changelog: v23.10.0b2...v23.10.0rc0

v23.10.0b2

What's Changed

• Feature/result multiple plugins by @unkcpz in #545
• DOC: add section on how to write plugin by @superstar54 in #463
• Detects the unsaved changes in the already confirmed steps. by @superstar54 in #537
• The default value of workdir clean button set to False by @unkcpz in #509
• Push to ghcr.io even when test fail by @unkcpz in #546
• fix bug on band_kpoints_distance for periodicity x and xy by @AndresOrtegaGuerrero in #547
• fix layout of the setting tab title for bands and pdos by @superstar54 in #555
• Bump aiidalab-widgets-base to version 2.1.0b0 by @AndresOrtegaGuerrero in #553
• use the function itself instead of the decorated calcfunction by @superstar54 in #556
• Remove unused leftover files by @unkcpz in #551
• Add more QE codes with the calcjob entry point by @superstar54 in #557

Full Changelog: v23.10.0b1...v23.10.0b2

v23.10.0b1

What's Changed

• Pre-install app by aiidalab install by @unkcpz in #532

Full Changelog: v23.10.0b0...v23.10.0b1

v23.10.0b0

What's Changed

• Plugin band by @superstar54 in #456
• Advanced override setting unification by @unkcpz in #457
• Add plugin entry point to workchain by @superstar54 in #458
• make pdos a plugin by @superstar54 in #459
• Merge advanced setting by @superstar54 in #461
• move get_configuration_parameters from submission to configuration by @superstar54 in #462
• use get and set for WorkChain settings by @superstar54 in #464
• add get and set for advanced settings by @superstar54 in #465
• use panel for workchain and advanced setting by @superstar54 in #467
• fix result tab by @superstar54 in #468
• Update README.md codecov by @unkcpz in #470
• Use label in WorkChainSelector by @superstar54 in #473
• load_profile explicitly in qe.ipynb by @unkcpz in #471
• fix override in get_panel_value for advanced by @superstar54 in #476
• remove hard coded inputs by @superstar54 in #478
• use uuid for pseudo by @superstar54 in #475
• Adding HTML widget to show the kpoint setting changes by @AndresOrtegaGuerrero in #480
• add test for workchain by @superstar54 in #472
• Fix the incorrect import in main module of codes setup by @unkcpz in #482
• Move docker stack build from docker stack to aiidalab-qe by @unkcpz in #449
• Remove hard coded codes from workflow by @superstar54 in #474
• Move report by @superstar54 in #481
• Allow structures with different periodicity by @AndresOrtegaGuerrero in #479
• Reload GUI parameters by @superstar54 in #485
• update nscf kpoints distance by @AndresOrtegaGuerrero in #446
• Add button to start new workflow by @unkcpz in #494
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #492
• Add clean-up button to control the remote work directory clean by @unkcpz in #497
• Reset GUI by @superstar54 in #489
• check if code is none in workchain by @superstar54 in #505
• fix pseudodojo in report and load_panel_value by @superstar54 in #507
• Fix/remove workchain output by @superstar54 in #510
• add entry point to structure_manager_widget by @superstar54 in #502
• Feature/kill button - adding the kill button on top of NodeTree by @mikibonacci in #500
• add code entry point by @superstar54 in #487
• Fix override by @AndresOrtegaGuerrero in #517
• remove blocker when updating code by @superstar54 in #521
• Bump awb to 2.1.0a0 by @unkcpz in #523
• Correct the regex to get version tag from tag by @unkcpz in #525

New Contributors

• @mikibonacci made their first contribution in #500

Full Changelog: v23.10.0a2...v23.10.0b0

v23.10.0a2

What's Changed

• Feature: Starting Magnetization by @AndresOrtegaGuerrero in #409
• Feature/ Tags editor to define Kinds in StructureData by @AndresOrtegaGuerrero in #410
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #429
• Remove pinning pymatgen by @unkcpz in #431
• QEApp Documentation by @edan-bainglass in #414
• Add doc badge to README.md by @unkcpz in #433
• Doc: using the new propared qe image by @unkcpz in #434
• Add the concurrency setup to CI workflow by @unkcpz in #443
• Support using customize pseudopotential by @unkcpz in #435
• Pseudo setter override pseudos properly by @unkcpz in #445
• increasing the range of the magnetization floattext by @AndresOrtegaGuerrero in #447
• Move to App widget and call from notebook by @unkcpz in #442
• Standardize setting-like widgets with tests by @unkcpz in #451

New Contributors

• @edan-bainglass made their first contribution in #414

Full Changelog: v23.10.0a1...v23.10.0a2

v23.04.6

Full Changelog: v23.04.5...v23.04.6

v23.04.5

What's Changed

• pinning more specific aiida-core and aiida-qe by @unkcpz in #430

Full Changelog: v23.04.4...v23.04.5