Releases: aiidalab/aiidalab-qe
Releases · aiidalab/aiidalab-qe
v25.04.1
What's Changed
- Bump version v25.04.0a2 -> v25.04.0 by @superstar54 in #1283
- Fix the release tag by @superstar54 in #1288
- The “latest” tag is created by the manifest job by @superstar54 in #1290
- Build arm don't need wait for build amd by @superstar54 in #1292
- Update the condition to build latest by @superstar54 in #1294
- Update Dockerfile by @mikibonacci in #1282
- prevent false negatives in tag filter by using ref_name by @superstar54 in #1296
Full Changelog: v25.04.0...v25.04.1
v25.04.0
What's Changed
- Bump version v24.10.0a8 -> v25.03.0 by @superstar54 in #1204
- Adding post install for muons by @mikibonacci in #1206
- Include Kaleido package by @AndresOrtegaGuerrero in #1207
- Add guides to the package data by @superstar54 in #1213
- [Fix] Permission error for .conda folder in the Docker image by @superstar54 in #1218
- Bump version v25.03.0 -> v25.04.0a1 by @superstar54 in #1222
- Include PP plugin in manager by @AndresOrtegaGuerrero in #1227
- Update app w.r.t new protocols by @edan-bainglass in #1230
- Clarify use of thresholds by @edan-bainglass in #1231
- Add bader, wannier90 and pythonjob codes by @superstar54 in #1233
- Always refresh NGLView to ensure it is indeed rendered by @edan-bainglass in #1236
- Do not remove git by @superstar54 in #1240
- Reduce documentation duplication by linking to AiiDAlab docs by @edan-bainglass in #1228
- Update/guides and sorting plugin order by @mikibonacci in #1243
- Bump version v25.04.0a1 -> v25.04.0a2 by @superstar54 in #1242
- Reorder top controls by @edan-bainglass in #1241
- Docker image pre-install all stable plugins by @superstar54 in #1245
- Use subscript for the structure label in the dropdown by @superstar54 in #1246
- Fix cpu/memory check for server and local workstation by @superstar54 in #1249
- Fix
Data
node issues in tree by @edan-bainglass in #1262 - Adjust panel outline width to fit content by @edan-bainglass in #1264
- Use new
metadata.process_labels
entry point to fetch plugin process human-readable labels by @edan-bainglass in #1261 - Push image to docker hub by @superstar54 in #1257
- Fix labels in
BandsPdosPlotly
by @t-reents in #1247 - Adding a warning in the code blocker by @mikibonacci in #1258
- Adding check for needed plugins by @mikibonacci in #1216
- Fix selection of indices in
Edit atom tags
by @t-reents in #1251 - Fix installation of vibroscopy plugin in the image by @superstar54 in #1266
- Advanced in-app guides by @t-reents in #1253
- Fix default magnetic moments for atoms with tags by @t-reents in #1252
- Fix/1255/build arm image by @superstar54 in #1263
- Update tutorial documentations by @edan-bainglass in #1260
- Fix guide bug by @edan-bainglass in #1273
- Split the action into: build-upload and build-test by @superstar54 in #1272
- Use AWB from the repo by @superstar54 in #1274
- Fix the phonopy version in the image by @superstar54 in #1275
- build amd and arm separately and then merge into one by @superstar54 in #1278
- Update basic tutorial by @edan-bainglass in #1279
- Update local install docs by @edan-bainglass in #1250
Full Changelog: v25.03.0...v25.04.0
v25.04.0a2
What's Changed
- Bump version v24.10.0a8 -> v25.03.0 by @superstar54 in #1204
- Adding post install for muons by @mikibonacci in #1206
- Include Kaleido package by @AndresOrtegaGuerrero in #1207
- Add guides to the package data by @superstar54 in #1213
- [Fix] Permission error for .conda folder in the Docker image by @superstar54 in #1218
- Bump version v25.03.0 -> v25.04.0a1 by @superstar54 in #1222
- Include PP plugin in manager by @AndresOrtegaGuerrero in #1227
- Update app w.r.t new protocols by @edan-bainglass in #1230
- Clarify use of thresholds by @edan-bainglass in #1231
- Add bader, wannier90 and pythonjob codes by @superstar54 in #1233
- Always refresh NGLView to ensure it is indeed rendered by @edan-bainglass in #1236
- Do not remove git by @superstar54 in #1240
- Reduce documentation duplication by linking to AiiDAlab docs by @edan-bainglass in #1228
Full Changelog: v25.03.0...v25.04.0a2
v25.03.0
What's Changed
- Bump version v24.04.0rc3 -> v24.04.0 by @superstar54 in #721
- add blogs section and release_202404 by @superstar54 in #676
- cleaning 2D path logic by @AndresOrtegaGuerrero in #725
- Bump version v24.04.0 -> v24.10.0a0 by @superstar54 in #728
- Explicitly pinning down the full-stack image version for qe image by @unkcpz in #729
- Install plugin with
--user
option for persistence by @superstar54 in #744 - Feature Spin-Orbit coupling by @AndresOrtegaGuerrero in #708
- Adding the max_wallclock_seconds setting by @mikibonacci in #743
- CI: Use uv for installing deps by @danielhollas in #752
- Deleting the diamond.cif file by @mikibonacci in #757
- Feature/post install plugins by @mikibonacci in #755
- Use uv to install deps during docker build by @danielhollas in #761
- Bump version v24.10.0a0 -> v24.10.0a1 by @mikibonacci in #770
- Remove arm64 build by @danielhollas in #776
- Fix Docker build on main branch by @danielhollas in #779
- Bump idna from 3.4 to 3.7 in /docs by @dependabot in #672
- Bump urllib3 from 2.0.3 to 2.0.7 in /docs by @dependabot in #684
- Bump requests from 2.31.0 to 2.32.0 in /docs by @dependabot in #741
- Bump jinja2 from 3.1.2 to 3.1.4 in /docs by @dependabot in #722
- Bump certifi from 2023.5.7 to 2023.7.22 in /docs by @dependabot in #686
- Bump certifi from 2023.5.7 to 2024.7.4 in /docs by @dependabot in #767
- Bump zipp from 3.17.0 to 3.19.1 in /docs by @dependabot in #771
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #759
- Print container logs if service fails to start by @danielhollas in #782
- Move QE conda install into separate stage by @danielhollas in #783
- Support QE conda env in /opt/conda by @danielhollas in #784
- Archive home directory using multi-stage build by @danielhollas in #781
- Fix integration tests for PRs from forks by @danielhollas in #780
- Adopt more ruff rules to align with AWB codebase by @danielhollas in #785
- Slim image without fix-permissions on CONDA_DIR by @unkcpz in #790
- Code/Pseudos setup: Separate frontend from backend by @danielhollas in #796
- XAS/XPS: Fix Bug Caused by VdW Module by @PNOGillespie in #786
- Test with aiida-core=2.6.1 and python 3.11 by @danielhollas in #760
- Bump urllib3 from 2.0.7 to 2.2.2 in /docs by @dependabot in #788
- Reorganize
static
folder and add pre-loaded stylesheets by @edan-bainglass in #772 - Redesign header with logo, toggled info sections, etc. by @edan-bainglass in #751
- Update full-stack image version - aiida v2.6 by @danielhollas in #801
- Electron MaxStep Widget by @AndresOrtegaGuerrero in #800
- Add slider to adjust fat bands width by @t-reents in #808
- removing text 3D structures only by @AndresOrtegaGuerrero in #828
- Updating bandspdos widget by @AndresOrtegaGuerrero in #831
- Feature/degauss widget pdos tab by @AndresOrtegaGuerrero in #833
- Improvement/process labels by @mikibonacci in #836
- improving description text in widget by @AndresOrtegaGuerrero in #837
- adding ProjwfcBandWorkchain by @AndresOrtegaGuerrero in #787
- Feature/clean button by @mikibonacci in #838
- Improvement/bandswidget sizewarning by @AndresOrtegaGuerrero in #839
- Feature/handling molecules by @AndresOrtegaGuerrero in #834
- update labels for fat_bands by @AndresOrtegaGuerrero in #842
- Backward compatibility issue by @mikibonacci in #847
- Features/warning long calc by @mikibonacci in #840
- Trigger the update of node view by @superstar54 in #844
- Fix/638/remove job selection by @superstar54 in #849
- changing guide button label and layout by @AndresOrtegaGuerrero in #851
- Updating vibro plugin version support by @mikibonacci in #852
- allows fermi_energy to be zero by @AndresOrtegaGuerrero in #856
- Hq as light scheduler by @unkcpz in #795
- Optimizing process labels by @mikibonacci in #861
- Update job history link from home page by @superstar54 in #867
- Adding the download button for QeAppWorkChains. by @mikibonacci in #850
- Add button to trigger the update of the results tabs. by @superstar54 in #868
- Improving plugins list page and plugins description by @mikibonacci in #870
- Improved warning messages by @mikibonacci in #862
- Bump version v24.10.0a1 -> v24.10.0a2 by @superstar54 in #871
- Fixing the bug in the plugins installation by @mikibonacci in #880
- Latest aiidalab-qe-vibroscopy version supported. by @mikibonacci in #884
- Update plugins.yaml by @mikibonacci in #885
- increasing fat_bands_slide/ removing spline by @AndresOrtegaGuerrero in #883
- removing nan from properties query by @AndresOrtegaGuerrero in #906
- Layout axes remain the same after update_plot methods is called by @AndresOrtegaGuerrero in #904
- using ui_parameters to set the report by @AndresOrtegaGuerrero in #910
- XAS: Move Startup Logic to
_update_structure()
by @PNOGillespie in #806 - XAS: Fix Conflict Between
tot_charge
Override and CH Protocol by @PNOGillespie in #809 - Bump version v24.10.0a2 -> v24.10.0a3 by @mikibonacci in #913
- Fixing the structure optimized info in the workflow summary by @mikibonacci in #882
- fixing the download of a single QeAppWorkChain by @mikibonacci in #915
- Store already added node viewer and load it when needed by @superstar54 in #921
- Restore update results button functionality by @edan-bainglass in #924
- Implementing lazy-loading by @edan-bainglass in #802
- Bump version v24.10.0a3 -> v24.10.0a4 by @superstar54 in #932
- Fix code_widget_class for PW by @superstar54 in #938
- Resource setting tabs by @superstar54 in #939
- Add DOME 4.0 to the acknowledgement by @superstar54 in #943
- set condition for update label if SOC if False by @AndresOrtegaGuerrero in #940
- Bandswidget refactoring by @AndresOrtegaGuerrero in #941
- changing the labels of periodicity widget by @AndresOrtegaGuerrero in #933
- Chaning pdos control labels by @AndresOrtegaGuerrero in #949
- Add layer of abstraction in
Panel
classes by @edan-bainglass in #945 - adding spin-orbit coupling to process label by @AndresOrtegaGuerrero in #954
- PBEsol as de...
v24.10.0a8
What's Changed
- Bump version v24.10.0a6 -> v24.10.0a7 by @superstar54 in #1095
- Adding widget to control aspect ratio of plot by @AndresOrtegaGuerrero in #1098
- UV_CACHE_DIR need do be the ARG for stage3 build by @unkcpz in #1099
- Add guards on null active eigenvalues by @edan-bainglass in #1102
- Synchronize
spin_orbit
on process load by @edan-bainglass in #1104 - Support building and publishing to PYPI by @superstar54 in #1101
- fix: enable running image on Renku by @olevski in #1105
- Increase the limit for adding Tags by @AndresOrtegaGuerrero in #1106
- Bump aiida_quantumespresso from 4.7 to 4.8 by @AndresOrtegaGuerrero in #1107
- Clarify raw data / archive download message by @edan-bainglass in #1116
- Upgrade QE to 7.4 in docker image by @superstar54 in #1119
- Fix loader margins by @edan-bainglass in #1123
- Correct observation order of code selection by @edan-bainglass in #1121
- Adding pencil decomposition for dos.x by default by @mikibonacci in #1125
- Use the XPS plugin from aiida-qe-xspec by @superstar54 in #1127
- Update home app container by @edan-bainglass in #1124
- Apply consistent headers/titles across all notebooks by @edan-bainglass in #1128
- Implement example archive importer by @edan-bainglass in #1126
- Fix nglview not show by @superstar54 in #1130
- Move resetting of
spin_orbit
to the basic settings model by @edan-bainglass in #1132 - Discard capturing of loaded stylesheets by @edan-bainglass in #1134
- Apply button color class to
LinkButton
widget, not its internal anchor tag by @edan-bainglass in #1135 - Bump QE plugin to 4.9 by @AndresOrtegaGuerrero in #1137
- Make pseudopotential subsection title consistent by @edan-bainglass in #1136
- Implement logging widget (mostly for devs) by @edan-bainglass in #1133
- XAS: Migrate XAS App to New Repository by @PNOGillespie in #1139
- adding shakenbreak editor by @AndresOrtegaGuerrero in #1141
- Tetrahedra occupation for molecules by @AndresOrtegaGuerrero in #1140
- Archive importer now using tags by @edan-bainglass in #1144
- Bump aiidalab-widgets-base dependency by @yakutovicha in #1146
- Support nested dependency by @superstar54 in #1147
- Using tetrahedra_lin is gaussian smearing is used by @AndresOrtegaGuerrero in #1149
- Plot multiple bands and add wannier90 plugin by @superstar54 in #1143
- Register the HP plugin by @superstar54 in #1153
- Pin plotly version by @superstar54 in #1156
- Add information about magnetism feature limitations for insulators by @edan-bainglass in #1157
- Add link button to examples notebook by @edan-bainglass in #1158
- Use AWB's
AiidaNodeViewWidget
to handle node views by @edan-bainglass in #1161 - Pop relax port if not relaxation by @superstar54 in #1163
- Remove aiida-qe-xspec by @superstar54 in #1167
- Rename reference to local config file by @edan-bainglass in #1162
- Improve status panel behavior by @edan-bainglass in #1166
- Fix
LinkButton
styles by @edan-bainglass in #1170 - Implement consistent step blocker system by @edan-bainglass in #1171
- Drop support for
aiida-core
< 2.5 by @edan-bainglass in #1179 - Improve simplified process tree by @edan-bainglass in #1174
- Hubbard: change int values of eigenvalues to float by @AndresOrtegaGuerrero in #1178
- Allow setting bands name and color by @superstar54 in #1175
- Fix properties in
HasProcess
by @superstar54 in #1180 - Cache node per thread to reduce DB calls by @edan-bainglass in #1183
- Make workflow status more clear/accurate by @edan-bainglass in #1184
- Upgrade the AiiDAlab full stack to 2025.1026 by @superstar54 in #1185
- Add a delay when testing tree monitor updates by @edan-bainglass in #1187
- Codify state icons in a separate module by @edan-bainglass in #1186
- Total Magnetization in Advanced by @AndresOrtegaGuerrero in #1189
- Bump AWB version to
2.4
by @edan-bainglass in #1188
New Contributors
Full Changelog: v24.10.0a7...v24.10.0a8
v24.10.0a7
What's Changed
- Bump version v24.10.0a3 -> v24.10.0a4 by @superstar54 in #932
- Fix code_widget_class for PW by @superstar54 in #938
- Resource setting tabs by @superstar54 in #939
- Add DOME 4.0 to the acknowledgement by @superstar54 in #943
- set condition for update label if SOC if False by @AndresOrtegaGuerrero in #940
- Bandswidget refactoring by @AndresOrtegaGuerrero in #941
- changing the labels of periodicity widget by @AndresOrtegaGuerrero in #933
- Chaning pdos control labels by @AndresOrtegaGuerrero in #949
- Add layer of abstraction in
Panel
classes by @edan-bainglass in #945 - adding spin-orbit coupling to process label by @AndresOrtegaGuerrero in #954
- PBEsol as default for SOC by @AndresOrtegaGuerrero in #951
- modifications to the EditStructureData Widgets by @AndresOrtegaGuerrero in #956
- removing extran note caption by @AndresOrtegaGuerrero in #958
- setting periodicity options to the mapping by @AndresOrtegaGuerrero in #960
- adding a widget to control DeltaE in PDOS plugin by @AndresOrtegaGuerrero in #966
- upgrade qe-plugin , include nbands_factor to PdosWorkChain by @AndresOrtegaGuerrero in #965
- Add missing features in resource settings tabs by @edan-bainglass in #946
- Fix process-node-related bugs by @edan-bainglass in #967
- Implement path for in-app guides by @edan-bainglass in #763
- Move spin orbit to basic settings by @edan-bainglass in #984
- Do not set
nbnd
for pdos workchain by @superstar54 in #1000 - Redesign the app's container in aiidalab home by @edan-bainglass in #985
- Rename job history and convert the button to a link to a new tab by @superstar54 in #995
- Fixing the estimation of available cpus for a machine (localhost) by @mikibonacci in #971
- Adding warning message for demo server by @mikibonacci in #975
- Adding more details on how we computed the min cpus by @mikibonacci in #972
- Redesign status and results step by @edan-bainglass in #978
- Add icon links in docs to website and repo by @edan-bainglass in #1008
- Improve calculation history page by @superstar54 in #1002
- Clean up app wrapper MVC by @edan-bainglass in #1009
- increase fat bands slider max to 5.0 eV by @AndresOrtegaGuerrero in #1016
- using a center layout for the widget BandsPdosWidget by @AndresOrtegaGuerrero in #1017
- Move new calculation button to top-level controls by @edan-bainglass in #1010
- Implement missing-info warnings by @edan-bainglass in #1004
- Default workdir clean on demo server by @edan-bainglass in #1007
- Provide categorized example structures. by @superstar54 in #1019
- Set fat_bands=True when FatBands is required by @AndresOrtegaGuerrero in #1023
- ommiting 0.0 values for hubbard by @AndresOrtegaGuerrero in #1029
- Install aiida-pseudos from repo to avoid download issue by @superstar54 in #1028
- switch on the
-pd
option for pw code by @superstar54 in #1025 - Fix safari pop-up issue with new
LinkButton
widget by @edan-bainglass in #1011 - Clean up panel classes by @edan-bainglass in #1014
- Implement constant but relaxation-dependent structure results panel by @edan-bainglass in #1015
- Replace
DependentStep
mixin with properQeWizardStep
MVC classes by @edan-bainglass in #1032 - adding a center_layout to get the plot centered by @AndresOrtegaGuerrero in #1036
- Replace advanced settings override checkbox with a reset button by @edan-bainglass in #1012
- Sentence-case by @edan-bainglass in #1034
- Change select periodicity description to apply by @AndresOrtegaGuerrero in #1043
- Fix sentence case issues by @edan-bainglass in #1040
- Implement state-dependent accordion background colors by @edan-bainglass in #1038
- Redesign summary view by @edan-bainglass in #1044
- Unify electronic structure result panels by @edan-bainglass in #1039
- Check for null exit status by @edan-bainglass in #1047
- Add initial structure pk to summary by @edan-bainglass in #1051
- Generalize summary generation by @edan-bainglass in #1054
- Fix pymatgen dependency by @edan-bainglass in #1057
- Adding a download image button for different formats by @AndresOrtegaGuerrero in #1056
- Handle space/point-group correctly by @edan-bainglass in #1055
- Splitting AddingTag and Periodicity editors by @AndresOrtegaGuerrero in #1060
- Adding effect of selecting the table from the structure widget by @AndresOrtegaGuerrero in #1061
- Update download AiiDA data notebook by @edan-bainglass in #1065
- Adding relax max_step widget by @AndresOrtegaGuerrero in #1063
- Add info relaxed structure results tab by @AndresOrtegaGuerrero in #1066
- Synchronize TableWidget row selection by @AndresOrtegaGuerrero in #1067
- Add XPS resource by @superstar54 in #1071
- Use plugin utility to set default starting magnetization by @edan-bainglass in #1041
- Remove empty namespace from builder by @superstar54 in #1073
- use table_widget by @superstar54 in #1068
- Shuffle results panel top-level tabs and update default selection by @edan-bainglass in #1076
- Implement structure view toggle by @edan-bainglass in #1074
- Group bands by angular momentum by default by @edan-bainglass in #1078
- Spruce up advanced panel styling by @edan-bainglass in #1075
- Translate
waiting
workflow state torunning
by @edan-bainglass in #1077 - Explicitly state Sphinx configuration path by @edan-bainglass in #1080
- Set full width for plugin management page by @superstar54 in #1081
- Update guides by @edan-bainglass in #1035
- Utilize external resource setup notebook for code management by @edan-bainglass in #986
- Fix rendering logic of results panel controls by @edan-bainglass in #1082
- Use backwards compatible methods to extract output parameters by @edan-bainglass in #1083
- Add formula to structure results view by @edan-bainglass in #1084
- Humanized process status view by @edan-bainglass in #1048
- Unpin pymatgen by @edan-bainglass in #1086
- Fix process tree issues by @edan-bainglass in #1087
- Upgrade full-stack image to 2025.1025 by @superstar54 in #1088
- Bump version v24.10.0a4 -> v24.10.0a5 by @superstar54 in #1089
- Bump AWB version to
2.3.0a3
by @edan-bainglass in #1090 - Bump version v24.10.0a5 -> v24.10.0a6 by @sup...
v24.10.0a4
What's Changed
- Bump version v24.10.0a2 -> v24.10.0a3 by @mikibonacci in #913
- Fixing the structure optimized info in the workflow summary by @mikibonacci in #882
- fixing the download of a single QeAppWorkChain by @mikibonacci in #915
- Store already added node viewer and load it when needed by @superstar54 in #921
- Restore update results button functionality by @edan-bainglass in #924
- Implementing lazy-loading and MVC by @edan-bainglass in #802
Full Changelog: v24.10.0a3...v24.10.0a4
v24.10.0a3
What's Changed
- Bump version v24.10.0a1 -> v24.10.0a2 by @superstar54 in #871
- Fixing the bug in the plugins installation by @mikibonacci in #880
- Latest aiidalab-qe-vibroscopy version supported. by @mikibonacci in #884
- Update plugins.yaml by @mikibonacci in #885
- increasing fat_bands_slide/ removing spline by @AndresOrtegaGuerrero in #883
- removing nan from properties query by @AndresOrtegaGuerrero in #906
- Layout axes remain the same after update_plot methods is called by @AndresOrtegaGuerrero in #904
- using ui_parameters to set the report by @AndresOrtegaGuerrero in #910
- XAS: Move Startup Logic to
_update_structure()
by @PNOGillespie in #806 - XAS: Fix Conflict Between
tot_charge
Override and CH Protocol by @PNOGillespie in #809
Full Changelog: v24.10.0a2...v24.10.0a3
v24.10.0a2
What's Changed
- Remove arm64 build by @danielhollas in #776
- Fix Docker build on main branch by @danielhollas in #779
- Bump idna from 3.4 to 3.7 in /docs by @dependabot in #672
- Bump urllib3 from 2.0.3 to 2.0.7 in /docs by @dependabot in #684
- Bump requests from 2.31.0 to 2.32.0 in /docs by @dependabot in #741
- Bump jinja2 from 3.1.2 to 3.1.4 in /docs by @dependabot in #722
- Bump certifi from 2023.5.7 to 2023.7.22 in /docs by @dependabot in #686
- Bump certifi from 2023.5.7 to 2024.7.4 in /docs by @dependabot in #767
- Bump zipp from 3.17.0 to 3.19.1 in /docs by @dependabot in #771
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #759
- Print container logs if service fails to start by @danielhollas in #782
- Move QE conda install into separate stage by @danielhollas in #783
- Support QE conda env in /opt/conda by @danielhollas in #784
- Archive home directory using multi-stage build by @danielhollas in #781
- Fix integration tests for PRs from forks by @danielhollas in #780
- Adopt more ruff rules to align with AWB codebase by @danielhollas in #785
- Slim image without fix-permissions on CONDA_DIR by @unkcpz in #790
- Code/Pseudos setup: Separate frontend from backend by @danielhollas in #796
- XAS/XPS: Fix Bug Caused by VdW Module by @PNOGillespie in #786
- Test with aiida-core=2.6.1 and python 3.11 by @danielhollas in #760
- Bump urllib3 from 2.0.7 to 2.2.2 in /docs by @dependabot in #788
- Reorganize
static
folder and add pre-loaded stylesheets by @edan-bainglass in #772 - Redesign header with logo, toggled info sections, etc. by @edan-bainglass in #751
- Update full-stack image version - aiida v2.6 by @danielhollas in #801
- Electron MaxStep Widget by @AndresOrtegaGuerrero in #800
- Add slider to adjust fat bands width by @t-reents in #808
- removing text 3D structures only by @AndresOrtegaGuerrero in #828
- Updating bandspdos widget by @AndresOrtegaGuerrero in #831
- Feature/degauss widget pdos tab by @AndresOrtegaGuerrero in #833
- Improvement/process labels by @mikibonacci in #836
- improving description text in widget by @AndresOrtegaGuerrero in #837
- adding ProjwfcBandWorkchain by @AndresOrtegaGuerrero in #787
- Feature/clean button by @mikibonacci in #838
- Improvement/bandswidget sizewarning by @AndresOrtegaGuerrero in #839
- Feature/handling molecules by @AndresOrtegaGuerrero in #834
- update labels for fat_bands by @AndresOrtegaGuerrero in #842
- Backward compatibility issue by @mikibonacci in #847
- Features/warning long calc by @mikibonacci in #840
- Trigger the update of node view by @superstar54 in #844
- Fix/638/remove job selection by @superstar54 in #849
- changing guide button label and layout by @AndresOrtegaGuerrero in #851
- Updating vibro plugin version support by @mikibonacci in #852
- allows fermi_energy to be zero by @AndresOrtegaGuerrero in #856
- Hq as light scheduler by @unkcpz in #795
- Optimizing process labels by @mikibonacci in #861
- Update job history link from home page by @superstar54 in #867
- Adding the download button for QeAppWorkChains. by @mikibonacci in #850
- Add button to trigger the update of the results tabs. by @superstar54 in #868
- Improving plugins list page and plugins description by @mikibonacci in #870
- Improved warning messages by @mikibonacci in #862
New Contributors
- @dependabot made their first contribution in #672
Full Changelog: v24.10.0a1...v24.10.0a2
v24.10.0a1
What's Changed
- Bump version v24.04.0rc3 -> v24.04.0 by @superstar54 in #721
- add blogs section and release_202404 by @superstar54 in #676
- cleaning 2D path logic by @AndresOrtegaGuerrero in #725
- Bump version v24.04.0 -> v24.10.0a0 by @superstar54 in #728
- Explicitly pinning down the full-stack image version for qe image by @unkcpz in #729
- Install plugin with
--user
option for persistence by @superstar54 in #744 - Feature Spin-Orbit coupling by @AndresOrtegaGuerrero in #708
- Adding the max_wallclock_seconds setting by @mikibonacci in #743
- CI: Use uv for installing deps by @danielhollas in #752
- Deleting the diamond.cif file by @mikibonacci in #757
- Feature/post install plugins by @mikibonacci in #755
- Use uv to install deps during docker build by @danielhollas in #761
- Bump version v24.10.0a0 -> v24.10.0a1 by @mikibonacci in #770
Full Changelog: v24.04.0...v24.10.0a1