Releases: aiidalab/aiidalab-qe
Releases · aiidalab/aiidalab-qe
Release list
v26.06.5
What's Changed
- Bump version v26.06.3 -> v26.06.4 by @edan-bainglass in #1535
- Remove uv from Dockerfile by @danielhollas in #1536
- Deduplicate packages in QE image by @danielhollas in #1537
- Move wannier90 build out of the final stage by @danielhollas in #1538
Full Changelog: v26.06.4...v26.06.5
v26.06.4
What's Changed
- Bump version v26.06.2 -> v26.06.3 by @edan-bainglass in #1532
- Install app and plugins in .local by @edan-bainglass in #1534
Full Changelog: v26.06.3...v26.06.4
v26.06.3
What's Changed
- Bump version v26.06.1 -> v26.06.2 by @edan-bainglass in #1527
- Fix pseudopotential metadata handling by @edan-bainglass in #1531
Full Changelog: v26.06.2...v26.06.3
v26.06.2
What's Changed
- Bump version v26.06.0 -> v26.06.1 by @edan-bainglass in #1522
- Fix pseudo state and blockers propagation by @edan-bainglass in #1526
Full Changelog: v26.06.1...v26.06.2
v26.06.1
What's Changed
- Bump version v26.04.0 -> v26.06.0 by @edan-bainglass in #1517
- Fix code loading bug by @edan-bainglass in #1519
- Remove
input_structuredeprecation warning by @edan-bainglass in #1520 - Bump full stack version by @edan-bainglass in #1521
Full Changelog: v26.06.0...v26.06.1
v26.06.0
What's Changed
- Bump version v26.01.0 -> v26.04.0 by @edan-bainglass in #1483
- Enable MPI in Wannier90 compilation by @edan-bainglass in #1488
- Don't show loading message on failed jobs by @edan-bainglass in #1489
- Implement parameters-aware code selector toggling by @edan-bainglass in #1493
- Fix citation by @edan-bainglass in #1497
- Don't install pypi packages to ~/.local by @danielhollas in #1337
- Fix absolute convergence thresholds by @edan-bainglass in #1500
- Minor Dockerfile cleanup by @danielhollas in #1502
- Install Bader from conda on arm64 by @danielhollas in #1507
- Move wannier compilation earlier in Dockerfile by @danielhollas in #1508
- Dockerfile: Make sure files not tracked by git don't end up in the image! by @danielhollas in #1509
- Plugin compatibility by @edan-bainglass in #1496
- Fix bugs in pseudopotentials panel by @edan-bainglass in #1504
- Fix blockers system by @edan-bainglass in #1513
Full Changelog: v26.04.0...v26.06.0
v26.04.0
What's Changed
- Bump version v25.08.1 -> v26.01.0 by @superstar54 in #1453
- Update archive downloader w.r.t changes in aiida-core by @edan-bainglass in #1420
- Fixing bitestream -> bytestream by @mikibonacci in #1455
- Update
logoCSS class to center logo image by @edan-bainglass in #1459 - Add QE app article citation by @edan-bainglass in #1460
- Move non-app modules/packages out of app package by @edan-bainglass in #1456
- Simplify step class naming and imports by @edan-bainglass in #1426
- Update
package_datato point to relocated default parameters by @edan-bainglass in #1464 - Add
beautifulsoup4dep (used in guide system) by @edan-bainglass in #1465 - Test python 3.12 and aiida-core=2.8.0 (#1466) by @danielhollas in #1470
- Bump full-stack image in Dockerfile by @danielhollas in #1469
- Apply MVC to
Wizardwidget by @edan-bainglass in #1427 - Cleanup by @edan-bainglass in #1428
- Implement app duplication by @edan-bainglass in #1429
- Fix bug with
DbUseraccess by @edan-bainglass in #1430 - Fix case by @edan-bainglass in #1467
- Add Cu.cif example (for Wannier) by @edan-bainglass in #1473
- Update about page by @edan-bainglass in #1477
- Bump
aiida-wannier90-workflowsversion to2.7.0by @edan-bainglass in #1478 - Shuffle top controls by @edan-bainglass in #1479
- Point
aiidalab-qe-wannier90to the AiiDAlab organization repo by @edan-bainglass in #1480 - Fix bug report handler by @edan-bainglass in #1481
- Add citation to registry metadata by @edan-bainglass in #1472
Full Changelog: v26.01.0...v26.04.0
v25.08.0
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
- Bump version v25.04.0 -> v25.04.1 by @superstar54 in #1297
- Add post-install script for the
aiida-qe-xspecplugin by @superstar54 in #1301 - Add lower bound of 0 (QE default) to smearing width by @edan-bainglass in #1308
- Decrease QeApp images size by @danielhollas in #1336
- CI: Fix code coverage collection from unit tests by @danielhollas in #1319
- Restructure examples importing feature in line with plugin architecture by @edan-bainglass in #1328
- Use shallow copy to avoid creating a new AiiDA node every time by @superstar54 in #1341
- Updated protocol names by @AndresOrtegaGuerrero in #1330
- Reduce the number of decimal points to displayed by @AndresOrtegaGuerrero in #1344
- Display custom NSCF kpoint distance by @AndresOrtegaGuerrero in #1345
- Pin
aiida-hyperqueueversion in Dockerfile by @superstar54 in #1349 - Save and load result panel state by @superstar54 in #1343
- Fix link to THEOS smearing tutorial by @t-reents in #1352
- Show pseudopotentials in summary by @edan-bainglass in #1353
- Fix PP upload widget by @edan-bainglass in #1348
- bump aiida qe by @AndresOrtegaGuerrero in #1354
- Update image with aiida 2.7 by @danielhollas in #1318
- Feature Mixing mode controls by @AndresOrtegaGuerrero in #1358
- Improve pseudopotential uploading logic and warnings by @edan-bainglass in #1355
- Apply MVC to pseudopotential uploader widget by @edan-bainglass in #1359
- Fix pseudopotential fixtures and tests by @edan-bainglass in #1362
- Discard local
LoadingWidgetin favor of AWB by @edan-bainglass in #1360 - Refactor convergence settings to separate sub-advanced-settings module by @edan-bainglass in #1361
- Update missed
LoadingWidgetimports by @edan-bainglass in #1365 - Missed one last
LoadingWidgetimport by @edan-bainglass in #1366 - Split advanced settings into tabs by @edan-bainglass in #1363
- Add missing functional setting on process load by @edan-bainglass in #1373
- Inject default codes into
ResourceSettingsModelby @edan-bainglass in #1368 - Discard redundant
get_selected_codesandset_selected_codesmethods by @edan-bainglass in #1374 - Override traitlets behavior to improve static type checking by @edan-bainglass in #1375
- Lift model dependency register to root
Modelclass by @edan-bainglass in #1376 - Restore advanced panel
refreshon structure change by @edan-bainglass in #1377 - Update pseudopotentials panel by @edan-bainglass in #1379
Full Changelog: v25.04.0...v25.08.0
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
Datanode issues in tree by @edan-bainglass in #1262 - Adjust panel outline width to fit content by @edan-bainglass in #1264
- Use new
metadata.process_labelsentry 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
BandsPdosPlotlyby @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 tagsby @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