nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2024-03-27T15:02:02Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1758Fix magres parser2024-03-27T15:02:02ZJose PizarroFix magres parserHotfix from devs feedbackHotfix from devs feedbackJose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1659Fixed CP2K2024-02-06T12:30:54ZJose PizarroFixed CP2KCloses #1879Closes #1879Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1570Resolve "Problem in published Dataset related to tabulartree"2023-12-13T09:31:55ZAmir GolparvarResolve "Problem in published Dataset related to tabulartree"Closes #1791Closes #1791Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1556Quickfix TB merge2023-11-20T14:51:48ZJose PizarroQuickfix TB mergeQuick fix on the DMFT workflows in the electronic parsers.Quick fix on the DMFT workflows in the electronic parsers.Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1539Improvement excited state workflows MethodNormalizer2023-11-07T10:28:48ZJose PizarroImprovement excited state workflows MethodNormalizerIn a recent merge for the `SimulationWorkflow.normalize()`, a different ordering was introduced for writting the inputs. I then adapted the MethodNormalizer part handling GW, BSE, XS workflows to handle these potential issues, such that ...In a recent merge for the `SimulationWorkflow.normalize()`, a different ordering was introduced for writting the inputs. I then adapted the MethodNormalizer part handling GW, BSE, XS workflows to handle these potential issues, such that now it scans the inputs and searches for one having the keyword `'method'` in the name.Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1533Resolve "Cannot plot a Datetime Quantity"2023-11-17T13:47:56ZMohammad NakhaeeResolve "Cannot plot a Datetime Quantity"Closes #1754Closes #1754Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1476Removed service worker.2023-09-27T12:17:02ZLauri HimanenRemoved service worker.Closes #1698Closes #1698Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1464Minor fix solid dmft2023-09-26T15:03:19ZJose PizarroMinor fix solid dmftMinor metainfo adjustements to allocate for better parsing of solid_dmft and other DMFT parsers: https://github.com/nomad-coe/electronic-parsers/pull/164Minor metainfo adjustements to allocate for better parsing of solid_dmft and other DMFT parsers: https://github.com/nomad-coe/electronic-parsers/pull/164Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1446Resolve "Reviewer not counting for max number of uploads"2023-08-23T12:32:39ZMarkus ScheidgenResolve "Reviewer not counting for max number of uploads"Closes #1651Closes #1651https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1415Refactored periodic table using SVG.2023-07-20T06:19:34ZLauri HimanenRefactored periodic table using SVG.Closes #1252Closes #1252Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1308Resolve "OverviewView.spec.js failed occasionally"2023-05-24T10:21:34ZMohammad NakhaeeResolve "OverviewView.spec.js failed occasionally"Closes #1478Closes #1478Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1290Resolve "Issues in exciting and FHI-aims"2023-05-17T10:53:15ZJose PizarroResolve "Issues in exciting and FHI-aims"Closes #1495Closes #1495Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1287Precision sections being generated for workflow entries2023-05-19T09:41:33ZJose PizarroPrecision sections being generated for workflow entriesCloses #1489Closes #1489Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1263Issue with workflow2 name2023-05-08T14:13:25ZJose PizarroIssue with workflow2 nameCloses #1475Closes #1475Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1258Resolve "Issue in system normalizer for reciprocal vectors"2023-05-05T14:48:44ZJose PizarroResolve "Issue in system normalizer for reciprocal vectors"Closes #1470Closes #1470Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1257Resolve "Issue in method normalizer for CoreHole"2023-05-05T09:10:27ZJose PizarroResolve "Issue in method normalizer for CoreHole"Closes #1469Closes #1469Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1252Include new BandGap in GW2023-05-05T08:22:23ZJose PizarroInclude new BandGap in GWPlease, @himanel1 @ladinesa @ndaelman (@jrudz , you can also check this out). This is part of the new `BandGap` definition @ndaelman did, and fixing the issue with the GW workflow.
This is mainly a fix, but I also took the change to reo...Please, @himanel1 @ladinesa @ndaelman (@jrudz , you can also check this out). This is part of the new `BandGap` definition @ndaelman did, and fixing the issue with the GW workflow.
This is mainly a fix, but I also took the change to reorganize a bit the `ResultsNormalizer` into abstraction (similar to `MethodNormalizer`). Can you please check this (**if possible to be merged before the reprocess**, i.e., by the end of the week) and give feedback? We can later extend changes to other `results.properties` sections.
There is a related minor PR in github: https://github.com/nomad-coe/electronic-parsers/pull/93
Closes #1459Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1061Resolve "Fix issues in the new GUI layout found using production data"2023-01-26T10:08:44ZLauri HimanenResolve "Fix issues in the new GUI layout found using production data"Closes #1304Closes #1304https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/999Resolve "Missing unit in menus"2022-12-20T12:51:04ZLauri HimanenResolve "Missing unit in menus"Closes #1245Closes #1245Lauri HimanenLauri Himanenhttps://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 Sikter