nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-03-14T16:55:57Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1156Fixed issue in upload name editing2023-03-14T16:55:57ZLauri HimanenFixed issue in upload name editingCloses #1389Closes #1389Jose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1117Resolve "North/gui: Allow custom tools.json for deployments"2023-05-16T13:56:20ZAdam FeketeResolve "North/gui: Allow custom tools.json for deployments"The goal is to completely remove the dependency on the `northTools.json` artifact from the GUI and use the new NORTH API instead.
Closes #1360
(GitHub) Closes #44The goal is to completely remove the dependency on the `northTools.json` artifact from the GUI and use the new NORTH API instead.
Closes #1360
(GitHub) Closes #44Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1075Improved overview UX2023-02-09T06:28:52ZLauri HimanenImproved overview UXImproved overview UX.
Closes #1312Improved overview UX.
Closes #1312Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1065Electronic Greens functions and overview page for DMFT2023-03-07T08:43:44ZJose PizarroElectronic Greens functions and overview page for DMFTCloses #1267Closes #1267Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1003Include Projection filter menu2023-01-02T10:48:14ZJose PizarroInclude Projection filter menuCloses #1250Closes #1250https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/923Updated materia submodule.2022-11-03T13:44:22ZLauri HimanenUpdated materia submodule.Closes #1163Closes #1163https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/560Resolve "Improved GUI search tests"2022-03-07T08:54:56ZLauri HimanenResolve "Improved GUI search tests"Closes #748
@mscheidg: Could you take a look and see that my overall approach is reasonable. Especially I'd like some comments on:
- I had to somehow formalize the test configuration, and for now, I did it by creating a config file at...Closes #748
@mscheidg: Could you take a look and see that my overall approach is reasonable. Especially I'd like some comments on:
- I had to somehow formalize the test configuration, and for now, I did it by creating a config file at `nomad-FAIR/nomad-test.yaml`. This configuration is loaded when node.js is instantiating the test states and should also be used when serving the application for test usage (`nomad admin run appworker`). Is this approach OK in your opinion? Btw: I had to put the config file in the repository root folder, because otherwise the volume access is not working.
- Do you think the current configuration in `nomad-FAIR/nomad-test.yaml` is distinct enough so that it does not interfere with other instances?
- Can you take a look at some of the snapshot files (e.g. gui/tests/data/search/min_max_aggregation_n_elements.json) and see if the format is OK?Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/554Resolve "GUI search fixes"2022-02-03T07:40:39ZLauri HimanenResolve "GUI search fixes"Closes #733Closes #733Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/545Resolve "GUI updates"2022-02-01T09:17:42ZLauri HimanenResolve "GUI updates"Closes #729 and #731.Closes #729 and #731.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/499Updated GUI search layout2021-12-21T15:54:41ZLauri HimanenUpdated GUI search layout- Reorganized the menus so that each property-panel first has a simple list of present quantities followed by a more detailed section for properties that have more options.
- Added search filter for polarized/non-polarized DOS and band s...- Reorganized the menus so that each property-panel first has a simple list of present quantities followed by a more detailed section for properties that have more options.
- Added search filter for polarized/non-polarized DOS and band structure.
- Added method type filter for energy-volume curves.
- The EELS search criteria are now shown in two different locations: method/eels and properties/spectroscopy/eels. If we can make a clear distinction between properties/method (e.g. is resolution set by the method, or is it determined from the result?) for EELS, we could modify the shown filters.
- Updated the look of `FilterSummary` that contains the chips for each present filter: now the targeted metainfo name is always shown above the chips. This makes it easier to see which metainfo is targeted and also makes the nested and non-nested filters look exactly the same.
- Added support for requesting aggregations for boolean fields (needed to show statistics for boolean search filters).
- Fixed issue with InputSlider not being full-width.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1275Resolve "Matid processing issues"2023-05-12T12:14:23ZLauri HimanenResolve "Matid processing issues"Closes #1476Closes #1476Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1267Wrapped formula creation in try/except in order to not completely halt parsin...2023-05-09T11:03:33ZLauri HimanenWrapped formula creation in try/except in order to not completely halt parsing...Wrapped formula creation in try/except in order to not completely halt parsing when elements are not found.
Closes #1473Wrapped formula creation in try/except in order to not completely halt parsing when elements are not found.
Closes #1473Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1686Introduce common parser class2024-02-27T12:26:25ZAlvin Noe LadinesIntroduce common parser classPart of #1536 . Implementation of the common parser base class which from which specific parser groups can be built for e.g. MDParser, DFTParser etc.Part of #1536 . Implementation of the common parser base class which from which specific parser groups can be built for e.g. MDParser, DFTParser etc.Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1640Add molpro parser2024-02-16T12:39:11ZNathan DaelmanAdd molpro parserAdd new Molpro parser to NOMAD base.
Extend the supporting schemas.Add new Molpro parser to NOMAD base.
Extend the supporting schemas.Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1632Adding magres parsing and schema2024-02-07T11:36:03ZJose PizarroAdding magres parsing and schemaCloses #1846
Related MR in Github:
- [nomad-schema-plugin-simulation-run](https://github.com/nomad-coe/nomad-schema-plugin-run/pull/2)
- [nomad-schema-simulation-workflow](https://github.com/nomad-coe/nomad-schema-plugin-simulation-wor...Closes #1846
Related MR in Github:
- [nomad-schema-plugin-simulation-run](https://github.com/nomad-coe/nomad-schema-plugin-run/pull/2)
- [nomad-schema-simulation-workflow](https://github.com/nomad-coe/nomad-schema-plugin-simulation-workflow/pull/3)
- [electronic-parsers](https://github.com/nomad-coe/electronic-parsers/pull/193)Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1530Resolve "DataTextParser inheriting from TextParser"2023-11-03T12:29:07ZAlvin Noe LadinesResolve "DataTextParser inheriting from TextParser"Closes #1655Closes #1655Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1437fixed storage of times in archive_to_universe, and recoded Rg value calc and...2023-08-11T15:56:57ZJoseph Rudzinskifixed storage of times in archive_to_universe, and recoded Rg value calc and...fixed storage of times in archive_to_universe, and recoded Rg value calc and storage in workflow normalizer
Closes #1643fixed storage of times in archive_to_universe, and recoded Rg value calc and storage in workflow normalizer
Closes #1643Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1434Draft: Resolve "Skip tests for excluded parsers"2023-12-20T12:22:57ZSascha KlawohnDraft: Resolve "Skip tests for excluded parsers"Closes #1646Closes #1646https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1430Draft: Resolve "Problems with Gromacs parser from umbrella sampling simulation"2023-08-09T05:11:03ZJoseph RudzinskiDraft: Resolve "Problems with Gromacs parser from umbrella sampling simulation"Closes #1643
Not sure why the pipeline build did not even work here...?Closes #1643
Not sure why the pipeline build did not even work here...?Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1419Resolve "Processing issue"2023-07-20T13:09:04ZLauri HimanenResolve "Processing issue"Closes #1611Closes #1611Lauri HimanenLauri Himanen