nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-02-11T11:08:05Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1077Fix issue #13212023-02-11T11:08:05ZAlvin Noe LadinesFix issue #1321Closes #1321Closes #1321Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1076Implement parsing of xml output in fleur2023-02-03T09:19:49ZAlvin Noe LadinesImplement parsing of xml output in fleurAddress user request for parsing of xml outputs in fleur.Address user request for parsing of xml outputs in fleur.Alvin Noe LadinesAlvin Noe Ladineshttps://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/1074Rework of the band_structure normalizer for all high-symmetry points2023-02-22T15:41:47ZJose PizarroRework of the band_structure normalizer for all high-symmetry pointsCloses #1210Closes #1210Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1073Resolve "Plot Reference to Missing SubSection Crashes GUI"2023-02-13T07:20:40ZHampus NaesstroemResolve "Plot Reference to Missing SubSection Crashes GUI"### Aim
Closes #1313
Closes #1311
This means that:
1. Non-instantiated subsections will not be plotted until they are instantiated (Bug fix)
2. The paths for plot annotations now support a python like slice operator (`start:end`) (fe...### Aim
Closes #1313
Closes #1311
This means that:
1. Non-instantiated subsections will not be plotted until they are instantiated (Bug fix)
2. The paths for plot annotations now support a python like slice operator (`start:end`) (feature)
For example:
```yaml
plot:
- x: my_middle_sections/:/my_sub_sections/-2:/x
y: my_middle_sections/:/my_sub_sections/-2:/y
```
will plot data from the last two `my_sub_sections` of all the `my_middle_sections`.
This means that passing the following data:
```yaml
data:
m_def: '#/MyTopSection'
my_middle_sections:
- name: Middle 1
my_sub_sections:
- name: Sub 1
x: [0,1]
y: [1,2]
- name: Sub 2
x: [0,0.5]
y: [1,2]
- name: Sub 3
x: [0.2,0.4]
y: [1.5,3]
- name: Middle 2
my_sub_sections:
- name: Sub 1
x: [0.5,1]
y: [3,1]
- name: Sub 2
x: [0.5,1.5]
y: [-1,2]
```
Will give the following plot:
![image](/uploads/cc4ca842f677b1d5564dbb6da937a411/image.png)
### Tasks
- [x] Add tests:
- [x] Non-instantiated SubSection
- [x] Wildcard
- [x] Legend labels
- [x] Fix bugs:
- [x] GUI crash on non-instantiated subsection #1313
- [x] Add features:
- [x] Wildcard for repeating subsections #1311
- [x] Legend labels for repeating sections
- [x] Add documentation:
- [x] Information on how to use the new features
- [x] Adding links to plotly javascript docs
- [x] ~~Potentially a link to the plot examples?~~ → Will need new issueHampus NaesstroemHampus Naesstroemhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1072Adds nexus eln yaml converter2023-02-03T08:49:59ZFlorian DobenerAdds nexus eln yaml converterMaybe it's better to integrate the two functions into `ElnYamlConverter` and create this class inside `NexusDataConverter`, but I wasn't sure how to properly do this. @sshabih Do you have an idea how to do this nicely, or do you think it...Maybe it's better to integrate the two functions into `ElnYamlConverter` and create this class inside `NexusDataConverter`, but I wasn't sure how to properly do this. @sshabih Do you have an idea how to do this nicely, or do you think it's just fine as as?
Other than that I still need to test this (Tested and works ✓)https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1070Resolve "using a schema that is in a different upload"2023-02-27T14:35:56ZMohammad NakhaeeResolve "using a schema that is in a different upload"Closes #1295Closes #1295Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1069Updated electronic parser submodule to the correct version.2023-02-01T10:22:36ZLauri HimanenUpdated electronic parser submodule to the correct version.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1067Reintroduced menu items for program information, renamed xc_functional_type...2023-02-01T08:22:15ZLauri HimanenReintroduced menu items for program information, renamed xc_functional_type...Reintroduced menu items for program information, renamed xc_functional_type and cleaned up the menu items for it.
Closes #1310Reintroduced menu items for program information, renamed xc_functional_type and cleaned up the menu items for it.
Closes #1310https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1066Changed entry_type and entry_name in Run normalizer for simulations2023-05-02T11:28:35ZJose PizarroChanged entry_type and entry_name in Run normalizer for simulationsCloses #1178Closes #1178Jose PizarroJose Pizarrohttps://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/1064Fixed small issues with the developers setup of nomad2023-01-31T08:07:04ZMarkus ScheidgenFixed small issues with the developers setup of nomadChangelog: FixedChangelog: Fixedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1063Fixed issue with mixed repeating and non-repeating sections in electronic pro...2023-01-27T14:24:08ZLauri HimanenFixed issue with mixed repeating and non-repeating sections in electronic properties.Closes #1308Closes #1308https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1062Resolve "Question: example for URLEditQuantity"2023-02-06T10:21:51ZAmir GolparvarResolve "Question: example for URLEditQuantity"URLEditQuantity is missing from the annotations.
Closes #1306URLEditQuantity is missing from the annotations.
Closes #1306Amir GolparvarAmir Golparvarhttps://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/1060Resolve "selected entries does not work properly"2023-02-03T09:11:15ZMohammad NakhaeeResolve "selected entries does not work properly"Closes #1283Closes #1283Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1059Fixed endless recursion in metainfo browser.2023-02-03T07:55:04ZMarkus ScheidgenFixed endless recursion in metainfo browser.This fixes a GUI crash that appeared when opening the metainfo browser.
Changelog: FixedThis fixes a GUI crash that appeared when opening the metainfo browser.
Changelog: Fixedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1058Generate gui artifacts at application start2023-04-22T11:50:09ZMarkus ScheidgenGenerate gui artifacts at application startIs part of #1008
This removes the gui artifacts from the gui build. The artifacts are loaded from the application and therefore depend on the application configuration and not the current build. This should allow us to load plugins at ...Is part of #1008
This removes the gui artifacts from the gui build. The artifacts are loaded from the application and therefore depend on the application configuration and not the current build. This should allow us to load plugins at application start that influence the gui artifacts.
It consolidates all gui artifacts into a single `gui/publi/artifacts.js`. Now there is only `artifacts.js` and `env.js`. Both can be generated with `nomad dev gui-artifacts` and `nomad dev gui-config` for the development GUI. For the production UI both files are generated by the NOMAD backend on request.
It removes the generated artifacts from the GIT again. We now only have a smaller version of `artifacts.js` needed for the tests that is part of the git (based on a test `nomad.yaml` similar to the test `env.js`).
- [x] pass pipeline
- [x] test with oasis deployment
- [x] test with kubernetes deploymenthttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1057Fixed the README batches and changed pipeline to push tags to github.2023-01-25T12:35:16ZMarkus ScheidgenFixed the README batches and changed pipeline to push tags to github.Changelog: FixedChangelog: Fixedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1056Resolve "Configure Naming of Tab of specific Oasis"2023-01-25T09:03:42ZLauri HimanenResolve "Configure Naming of Tab of specific Oasis"Closes #1301Closes #1301