2023.8.30

New minimum Python version

Support for Python 3.7 and 3.8 has been removed. Instead support for Python 3.10 and 3.11 has been added.
The new minimum and default Python version is 3.9.

The CI/CD workflows have been updated to use the callable workflows from an external CI/CD repository.

Changelog

2023.8.30 (2023-08-30)

Full Changelog

Implemented enhancements:

• Update minimum Python requirement #511
• Use SINTEF/ci-cd callable workflows #528 (@CasperWA)

Fixed bugs:

• Release workflow changes no working #532
• Explicitly add locations of requirements files #517 (@CasperWA)

Closed issues:

• Update optimade dependency to support Python 3.11 #506
• Re-update BIG-MAP acknowledgement #464
• Add BIG-MAP acknowledgement #462

Merged pull requests:

• Fix release workflow #533 (@CasperWA)
• [Auto-generated] Update dependencies #530 (@CasperWA)
• Update dependencies #527 (@CasperWA)
• Seems there is no need for explicitly looking here #526 (@CasperWA)
• Update dependencies #516 (@CasperWA)
• Update min Python version to 3.9 #512 (@CasperWA)
• Update dependencies #507 (@CasperWA)
• Update dependencies #502 (@CasperWA)
• Update dependencies #500 (@CasperWA)
• Update dependencies #498 (@CasperWA)
• Update dependencies #494 (@CasperWA)
• Update dependencies #491 (@CasperWA)
• Update dependencies #489 (@CasperWA)
• Update dependencies #487 (@CasperWA)
• Update dependencies #486 (@CasperWA)
• Update dependencies #484 (@CasperWA)
• Update dependencies #482 (@CasperWA)
• Update dependencies #481 (@CasperWA)
• Update dependencies #479 (@CasperWA)
• Update dependencies #477 (@CasperWA)
• Update dependencies #475 (@CasperWA)
• Update dependencies #473 (@CasperWA)
• Update dependencies #472 (@CasperWA)
• Flake8 pre-commit fail fixed #471 (@unkcpz)
• Update dependencies #470 (@CasperWA)
• Update dependencies #467 (@CasperWA)
• Re-update BIG-MAP acknowledgement #465 (@CasperWA)
• Add BIG-MAP acknowledgement #463 (@CasperWA)
• Update dependencies #461 (@CasperWA)
• Update dependencies #460 (@CasperWA)

2022.9.19 (2022-09-19)

Full Changelog

Merged pull requests:

• Don't use v1.2.1 from ipywidgets-extended #458 (@CasperWA)
• Populate raw filter string from basic filter #457 (@eimrek)
• Update dependencies #455 (@CasperWA)
• Update dependencies #452 (@CasperWA)
• Update dependencies #450 (@CasperWA)
• Move default database providers defaults setup parameters to one file #449 (@unkcpz)
• Logger clean and handler explicitly import #447 (@unkcpz)
• SortSelector widget use nsites as default field to sort #445 (@unkcpz)
• Update dependencies #444 (@CasperWA)

2022.6.23 (2022-06-23)

Full Changelog

Fixed bugs:

• Avoid using v1.2.0 for ipywidgets-extended #442 (@CasperWA)

Merged pull requests:

• Update dependencies #443 (@CasperWA)

2022.6.9 (2022-06-09)

Full Changelog

Merged pull requests:

• pinning ipywidget-extended version to 1.1.1 #438 (@unkcpz)

2022.6.8 (2022-06-08)

Full Changelog

Merged pull requests:

• Update dependencies #435 (@CasperWA)
• Use ase format for viewer and default download format #432 (@unkcpz)
• Tackle issue that some db not return species #431 (@unkcpz)
• Update dependencies #430 (@CasperWA)
• Update dependencies #427 (@CasperWA)
• Update dependencies #425 (@CasperWA)
• Update dependencies #423 (@CasperWA)

2022.4.20 (2022-04-20)

Full Changelog

Merged pull requests:

• Update dependencies #418 (@CasperWA)

2022.3.30 (2022-03-30)

Full Changelog

Merged pull requests:

• Update dependencies #414 (@CasperWA)
• Update dependencies #408 (@CasperWA)
• Update dependencies #405 (@CasperWA)
• Update dependencies #402 (@CasperWA)
• Update dependencies #400 (@CasperWA)
• Update dependencies #396 (@CasperWA)
• Update dependencies #393 (@CasperWA)
• Update dependencies #390 (@CasperWA)
• Update dependencies #388 (@CasperWA)
• Update dependencies #385 (@CasperWA)
• Update dependencies #382 (@CasperWA)
• Update dependencies #380 (@CasperWA)

2021.12.2 (2021-12-02)

Full Changelog

Fixed bugs:

• Never choose a "group" value in dropdowns #357

Merged pull requests:

• Update dependencies #378 (@CasperWA)
• Update dependencies #375 (@CasperWA)
• Update dependencies #373 (@CasperWA)
• Update dependencies #372 (@CasperWA)
• Update dependencies #370 (@CasperWA)
• Update dependencies #367 (@CasperWA)

2021.10.21 (2021-10-21)

Full Changelog

Fixed bugs:

• Auto-merge dependabot PRs not working #365

Closed issues:

• Update CI/CD to be more automatic #362

Merged pull requests:

• Checkout repository first in auto-merge CI #366 (@CasperWA)
• Update CI/CD workflows #363 (@CasperWA)
• Use setup.cfg for aiidalab metadata declaration. #360 (@csadorf)
• Update dependencies #359 (@CasperWA)
• Update dropdowns on value changes (not index) #358 (@CasperWA)

2021.9.28 (2021-09-28)

Full Changelog

Implemented enhancements:

• The "Select provider choice" should be more visible #351

Merged pull requests:

• Update dependencies #354 (@CasperWA)

2021.9.17 (2021-09-17)

Full Changelog

Merged pull requests:

• Update dependencies & GH Actions #350 (@CasperWA)

2021.9.10 (2021-09-10)

Full Changelog

Implemented enhancements:

• Update supported providers #343 (@CasperWA)

Merged pull requests:

• Update dependencies #346 (@CasperWA)

2021.9.8 (2021-09-08)

Full Changelog

Fixed bugs:

• The periodic table is truncated #336

Merged pull requests:

• Use a more vertical layout by default #342 (@CasperWA)

2021.9.7 (2021-09-06)

Full Changelog

Merged pull requests:

• Update dependencies & GH Actions #341 (@CasperWA)

2021.8.24 (2021-08-24)

Full Changelog

Fixed bugs:

• [BUG] Unable to select the Materials Cloud database provider #334

Merged pull requests:

• Fix filtering /links & update to OPTIMADE v1.1.0 #335 (@CasperWA)
• Update pylint requirement from ~=2.9 to ~=2.10 #333 (@dependabot[bot])
• Update dependencies #332 (@CasperWA)

2021.8.6 (2021-08-06)

Full Changelog

Merged pull requests:

• Bump CasperWA/push-protected from 2.3.0 to 2.4.0 #329 (@dependabot[bot])
• Bump codecov/codecov-action from 2.0.1 to 2.0.2 #328 (@dependabot[bot])
• Integrate AiiDAlab app into repository. #327 (@csadorf)
• Update dependencies and GH Actions #326 (@CasperWA)
• Update dependencies #321 (@CasperWA)
• Update dependencies #315 (@CasperWA)
• Update dependencies #310 (@CasperWA)
• Update dependencies #306 (@CasperWA)
• Update GH actions #303 (@CasperWA)

2021.5.7 (2021-05-07)

Full Changelog

Merged pull requests:

• Disable MPDS provider #296 (@CasperWA)
• Update voila requirement from ~=0.2.9 to ~=0.2.10 #295 (@dependabot[bot])
• Update dependencies #294 (@CasperWA)
• Update voila requirement from ~=0.2.7 to ~=0.2.9 #290 (@dependabot[bot])
• Bump actions/cache from v2.1.4 to v2.1.5 #289 (@dependabot[bot])
• Update dependencies #288 (@CasperWA)

2021.3.29 (2021-03-29)

Full Changelog

Implemented enhancements:

• Allow provider's databases to be grouped in dropdown #280
• Drop Python 3.6 support - add Python 3.9 #284 (@CasperWA)

Fixed bugs:

• Development mode not properly handling databases dropdown #281

Merged pull requests:

• Update to latest DropdownExtended widget - use grouping #285 (@CasperWA)
• Update optimade requirement from ~=0.13.3 to ~=0.14.0 #283 (@dependabot[bot])
• Fix handling of OPTIMADE_CLIENT_DEVELOPMENT_MODE env var #282 (@CasperWA)

2021.3.16 (2021-03-15)

Full Changelog

Implemented enhancements:

• Suggestions from @ltalirz #276

Merged pull requests:

• Update flake8 in pre-commit #279 (@CasperWA)
• Use less clicks - out of sight; out of mind #277 (@CasperWA)

2021.3.8 (2021-03-08)

Full Changelog

Fixed bugs:

• Counting databases fails for special aggregation types #269
• Fix tests #268
• Properly avoid pagination for child databases #274 (@CasperWA)

Merged pull requests:

• Update dependencies #273 (@CasperWA)
• Some fixes #270 (@CasperWA)
• Update optimade requirement from ~=0.13.0 to ~=0.13.1 #267 (@dependabot[bot])

2021.2.23.1 (2021-02-23)

Full Changelog

Fixed bugs:

• Wrap id filter value in quotes #266 (@CasperWA)

2021.2.23 (2021-02-23)

Full Changelog

Fixed bugs:

• Update dependencies + fix species.mass #265 (@CasperWA)

Merged pull requests:

• Update dependencies #259 (@CasperWA)
• Update pre-commit requirement from ~=2.9 to ~=2.10 #256 (@dependabot[bot])

2021.1.25 (2021-01-25)

Full Changelog

Implemented enhancements:

• Update title of query section #249

Fixed bugs:

• Missing provider list in embedded mode #235

Closed issues:

• Switch up page chooser and results dropdown #234

Merged pull requests:

• Set subpart order via Enum for OptimadeQueryFilterWidget #254 (@CasperWA)
• More explanatory and specific Query section title #253 (@CasperWA)
• Update dependencies #252 (@CasperWA)
• Temporarily disable OMDB and OQMD #248 (@CasperWA)
• Update dependencies #247 (@CasperWA)
• Update optimade requirement from ~=0.12.5 to ~=0.12.6 #242 (@dependabot[bot])
• Update dependencies #241 (@CasperWA)
• Update pytest requirement from ~=6.1 to ~=6.2 #237 (@dependabot[bot])
• Update optimade requirement from ~=0.12.4 to ~=0.12.5 #236 (@dependabot[bot])
• Update dependencies #232 (@CasperWA)

2020.11.22 (2020-11-22)

Full Changelog

Fixed bugs:

• Quotation-free inputs to provider ID not supported #182

Closed issues:

• Filtering for elements #227

Merged pull requests:

• Implement "asymmetric" filtering of elements when in-/excluding #229 (@CasperWA)
• Fix provider ID filter input #228 (@CasperWA)

2020.11.20 (2020-11-20)

Full Changelog

Fixed bugs:

• Fix sort order width #226 (@CasperWA)

2020.11.19 (2020-11-19)

Full Changelog

Implemented enhancements:

• Results do not appear to be meaningfully ordered - Add sorting option #207

Fixed bugs:

• set-env deprecated for GH Actions #221
• Temporarily remove errorneous providers #219
• [BUG] - Searching for specific structure in MaterialsProject DB triggers ValidationError #215

Merged pull requests:

• Update FAQ | Update link to MaterialsCloud tool #225 (@CasperWA)
• Add sorting #224 (@CasperWA)
• Use DropdownExtended widget for download format | Default to ALL for elements filtering #223 (@CasperWA)
• Don't use the deprecated set-env in GH Actions #222 (@CasperWA)
• Update available list of providers #220 (@CasperWA)
• Update requests requirement from ~=2.24 to ~=2.25 #218 (@dependabot[bot])
• Update optimade requirement from ~=0.12.2 to ~=0.12.3 #216 (@dependabot[bot])
• Use new check-sdist-action for build-package CI #214 (@CasperWA)
• Move requirements files to folder #213 (@CasperWA)

2020.11.5 (2020-11-05)

Full Changelog

Implemented enhancements:

• Do not show the periodic table by default #201

Closed issues:

• Use Heroku Review Apps (or similar) #211
• The binder link appears to be broken #204

Merged pull requests:

• Add Heroku-relevant files #212 (@CasperWA)
• Remove postBuild and update to Python3.8 (binder) #210 (@CasperWA)
• Remove appmode from binder postBuild #205 (@CasperWA)
• Make Periodic Table widget toggleable #203 (@CasperWA)
• Update dependencies #202 (@CasperWA)

2020.10.29 (2020-10-29)

Full Changelog

Merged pull requests:

• Use master for push action (not python action) #198 (@CasperWA)
• Temporarily use the master branch of push action #197 (@CasperWA)
• Make update_version.sh executable #196 (@CasperWA)
• Reactivate publishing to PyPI #195 (@CasperWA)
• Bump CasperWA/push-protected from v1 to v2 #194 (@dependabot[bot])

2020.10.28.2 (2020-10-28)

Full Changelog

Merged pull requests:

• Add notebook to package #192 (@CasperWA)

2020.10.28.1 (2020-10-28)

Full Changelog

Merged pull requests:

• Move jupyter_config.json into package #191 (@CasperWA)

2020.10.28 (2020-10-28)

Full Changelog

Fixed bugs:

• Fresh install from pip does not work #190

Merged pull requests:

• Ensure jupyter_config.json is in sdist #189 (@CasperWA)

2020.10.26 (2020-10-26)

Full Changelog

Merged pull requests:

• Add ability to change grid widths of provider sub-widgets #188 (@CasperWA)
• Update voila requirement from ~=0.2.3 to ~=0.2.4 #187 (@dependabot[bot])

2020.10.14 (2020-10-14)

Full Changelog

Closed issues:

• Make voila and jupyterlab optional dependencies. #183

Merged pull requests:

• Update pre-commit with flake8 #186 (@CasperWA)
• Add codecov (code coverage) and don't run CI for all pushes #185 (@CasperWA)
• Clean up dependencies #184 (@CasperWA)

2020.10.2 (2020-10-02)

Full Changelog

Implemented enhancements:

• Possibly implement OptimadeQueryWidget from aiidalab/aiidalab-optimade #158
• Specify difference between number of elements and elements in implementation #52

Fixed bugs:

• Pageing offset issue #26

Closed issues:

• Remove click, use built-in argparse #176

Merged pull requests:

• Update MANIFEST.in with move of *.json #180 (@CasperWA)
• Use argparse instead of click for CLI #179 (@CasperWA)
• Don't query default nsites and nelements values #178 (@CasperWA)
• Fix page link handling #177 (@CasperWA)

2020.10.1 (2020-10-01)

Full Changelog

Fixed bugs:

• Download button doesn't activate #173
• Not passing correct integers for pagination #172

Merged pull requests:

• Properly implement button_style parameter in button's HTML #175 (@CasperWA)
• Make urlencode properly parse query #174 (@CasperWA)

2020.9.29 (2020-09-28)

Full Changelog

Implemented enhancements:

• Improve Exception and Warning handling when using APP mode version #53

Merged pull requests:

• Add button_style arguments to widgets #171 (@CasperWA)
• Minor fixes #170 (@CasperWA)
• Update pytest requirement from ~=6.0 to ~=6.1 #169 (@dependabot[bot])
• Simple caching #161 (@CasperWA)

2020.9.27 (2020-09-27)

Full Changelog

Merged pull requests:

• Add direction parameter to summary widget #168 (@CasperWA)

2020.9.26.post1 (2020-09-26)

Full Changelog

Merged pull requests:

• Remove pkginfo dependency, hardcode package info #167 (@CasperWA)

2020.9.26 (2020-09-26)

Full Changelog

Implemented enhancements:

• Update dimension_types filter input #103
• Add periodic table widget for inputs of "Elements" #48

Closed issues:

• Numpy dependency is incompatible with aiida-core[atomic_tools] #156

Merged pull requests:

• Remove mention of version.py in publish workflow #166 (@CasperWA)
• Update dependencies #165 (@CasperWA)
• Use pkginfo package #162 (@CasperWA)
• Update voila requirement from ~=0.1.23 to ~=0.2.2 #159 (@dependabot[bot])
• Use periodic table widget #143 (@CasperWA)
• New MultiCheckboxes widget for nperiodic_dimensions #142 (@CasperWA)

2020.9.16.dev2 (2020-09-16)

Full Changelog

Merged pull requests:

• Utilize package_data in setup() #155 (@CasperWA)

2020.9.16.dev1 (2020-09-16)

Full Changelog

Fixed bugs:

• Provide image used in HeaderDescription #153

Closed issues:

• Transfer and split up this repository #50

Merged pull requests:

• Add logo to package #154 (@CasperWA)

2020.9.16.dev0 (2020-09-15)

Full Changelog

Fixed bugs:

• [BUG] - C binding for numpy not working #91

Merged pull requests:

• Update scipy install #152 (@CasperWA)

2020.9.15.dev2 (2020-09-15)

Full Changelog

Merged pull requests:

• Make sure to use version if supplied #151 (@CasperWA)

2020.9.15.dev1 (2020-09-15)

Full Changelog

Merged pull requests:

• Publish through GitHub release #150 (@CasperWA)
• Add git status to workflow for info #149 (@CasperWA)

2020.9.15.dev0 (2020-09-15)

Full Changelog

Implemented enhancements:

• Maintain log file in standard location instead of the current working directory #127
• PyPI package #147 (@CasperWA)

Closed issues:

• [v3] Update README #36
• Use CalVer #14

Merged pull requests:

• Update versioned tags to not be preceded by "v" #148 (@CasperWA)
• Use CalVer instead of SemVer #146 (@CasperWA)
• Create log file in standard location instead of working directory #145 (@CasperWA)
• Move repository #144 (@CasperWA)
• Update optimade requirement from ~=0.11.0 to ~=0.12.0 #140 (@dependabot[bot])
• Update dependencies #136 (@CasperWA)
• Use appdirs to determine cache directory. #129 (@CasperWA)

v3.3.2+aiidalab (2020-09-07)

Full Changelog

v3+aiidalab (2020-09-07)

Full Changelog

Implemented enhancements:

• Move temporary files to standard temp directory #128

Fixed bugs:

• PermissionError: '/cached_providers.json' #124

* This Changelog was automatically generated by github_changelog_generator