nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-02-09T06:35:25Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1080Added categories to the example uploads dialog.2023-02-09T06:35:25ZMarkus ScheidgenAdded categories to the example uploads dialog.Added categories to the example uploads dialog.
Also added configuration switches to include/exclude
example based on configuration.
Changelog: AddedAdded categories to the example uploads dialog.
Also added configuration switches to include/exclude
example based on configuration.
Changelog: AddedAmir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1079Resolve "Some weird things happen when using the reference quntity"2023-02-28T15:24:00ZMohammad NakhaeeResolve "Some weird things happen when using the reference quntity"Closes #1309Closes #1309Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1078Hotfix GW workflow method section2023-02-09T14:04:49ZJose PizarroHotfix GW workflow method sectionFixed method normalizer to get starting_point and basis_set metainfo ONLY in the GW workflow entry
Deleted starting_point metainfo from GW run.methodFixed method normalizer to get starting_point and basis_set metainfo ONLY in the GW workflow entry
Deleted starting_point metainfo from GW run.methodJose PizarroJose Pizarrohttps://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: Fixed