nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2022-12-20T21:53:41Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/998Resolve "K8s doesn't work due to the missing rabbitmq chart"2022-12-20T21:53:41ZMarkus ScheidgenResolve "K8s doesn't work due to the missing rabbitmq chart"Closes #1247Closes #1247https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/997Added convert to float the magnitude of the pint quantity2022-12-19T16:53:36ZJose Marquez PrietoAdded convert to float the magnitude of the pint quantityCloses #1240Closes #1240Jose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/996Resolve "Refactor NORTH and Jupyterhub deployment"2023-02-15T14:54:30ZAdam FeketeResolve "Refactor NORTH and Jupyterhub deployment"Closes #922
- [x] Custom jupyterhub_config.py or hub image for supporting different applications (named servers)
- [x] setup upload folders. Mount all the uploads.
like: `uploads/uid/`
- [x] home folders
- [ ] ~~shared folders: shar...Closes #922
- [x] Custom jupyterhub_config.py or hub image for supporting different applications (named servers)
- [x] setup upload folders. Mount all the uploads.
like: `uploads/uid/`
- [x] home folders
- [ ] ~~shared folders: shared/user (read only) VS sandbox~~Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/995Correct qe epw parser metadata2022-12-17T16:48:20ZAlvin Noe LadinesCorrect qe epw parser metadataAlvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/994Add birch_murnaghan to results.eos fit functions2022-12-16T15:34:58ZAlvin Noe LadinesAdd birch_murnaghan to results.eos fit functionsFixes issue with TypeError: The value birch_murnaghan is not an enum value for quantity nomad.datamodel.results.EnergyVolumeCurve.type (nomad github issue 37)Fixes issue with TypeError: The value birch_murnaghan is not an enum value for quantity nomad.datamodel.results.EnergyVolumeCurve.type (nomad github issue 37)Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/993generalization of md workflow2022-12-19T12:18:37ZJoseph Rudzinskigeneralization of md workflowfinished gromacs normalized workflow test, some system/method parsing info for lammps fixed, tests still fail
Closes #1199finished gromacs normalized workflow test, some system/method parsing info for lammps fixed, tests still fail
Closes #1199https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/992Resolve "Support autocomplete dropdown and search dialog for reference edit q...2023-01-16T10:53:50ZMohammad NakhaeeResolve "Support autocomplete dropdown and search dialog for reference edit quantity"Closes #1225Closes #1225Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/991Improve Projection methods2022-12-19T10:47:56ZJose PizarroImprove Projection methodsMoved HoppingMatrix to Method, while importing it in Calculation
Added Projection.orbitals_angular_momentum metainfo
New tests for Projection method
Closes #1238Moved HoppingMatrix to Method, while importing it in Calculation
Added Projection.orbitals_angular_momentum metainfo
New tests for Projection method
Closes #1238Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/990Resolve "Formal models, validation, and documentation for metainfo annotations"2023-02-22T10:04:52ZMarkus ScheidgenResolve "Formal models, validation, and documentation for metainfo annotations"Closes #1237Closes #1237https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/989Resolve "GUI Breaks when using create Archive"2022-12-14T21:38:17ZDavid SikterResolve "GUI Breaks when using create Archive"Fixes additional syncing issue, related to the `RichTextEditQuantity`, as it has some internal caching that creates additional problems. Closes #1192.Fixes additional syncing issue, related to the `RichTextEditQuantity`, as it has some internal caching that creates additional problems. Closes #1192.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/988Fixed gui tests and refreshed recorded api calls2022-12-16T14:15:14ZDavid SikterFixed gui tests and refreshed recorded api callsFixing some gui test issues, mostly resulting from outdated recorded api calls. Refreshed the recorded api calls and made sure the tests run locally after the new packaging was introduced.Fixing some gui test issues, mostly resulting from outdated recorded api calls. Refreshed the recorded api calls and made sure the tests run locally after the new packaging was introduced.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/987Replaced the old "statistics" with a dashboard that can be customized individ...2022-12-19T12:06:16ZLauri HimanenReplaced the old "statistics" with a dashboard that can be customized individually for each appReplaced the old "statistics" with a dashboard that can be customized individually for each app. Added new scatter plot widget. Added a default dashboard configuration for the solar cell app.
Closes #961Replaced the old "statistics" with a dashboard that can be customized individually for each app. Added new scatter plot widget. Added a default dashboard configuration for the solar cell app.
Closes #961Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/986Resolve "Reference card only shows referenced entries if there is exactly one"2022-12-14T09:00:24ZMarkus ScheidgenResolve "Reference card only shows referenced entries if there is exactly one"Closes #1234Closes #1234https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/985Resolve "Optimization for the GUI test"2023-01-05T10:21:46ZMohammad NakhaeeResolve "Optimization for the GUI test"Closes #1233Closes #1233Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/984Improved SearchBar customization and suggestions and added possibility to sel...2022-12-20T09:54:23ZLauri HimanenImproved SearchBar customization and suggestions and added possibility to select the active filters for each SearchContext.Closes #1224Closes #1224Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/983Resolve "quick fix: initialise all git submodules during setup process"2022-12-13T11:26:16ZAdam FeketeResolve "quick fix: initialise all git submodules during setup process"Closes #1230Closes #1230Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/982Resolve "Showing the correct label for array of section"2022-12-15T15:41:30ZMohammad NakhaeeResolve "Showing the correct label for array of section"Closes #1229Closes #1229Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/981Resolve "Nomad config formalization"2022-12-20T14:51:03ZMarkus ScheidgenResolve "Nomad config formalization"Closes #1202Closes #1202https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/980New workflow normalizer2022-12-22T11:23:13ZAlvin Noe LadinesNew workflow normalizerImplement normalization of workflow2 in atomistic and electronic parsersImplement normalization of workflow2 in atomistic and electronic parsersMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/979Fix qe parser #12222022-12-12T17:29:42ZAlvin Noe LadinesFix qe parser #1222Closes #1222Closes #1222Alvin Noe LadinesAlvin Noe Ladines