nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-04-22T07:54:17Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1224Updated docs and scripts.2023-04-22T07:54:17ZLauri HimanenUpdated docs and scripts.Closes #1433Closes #1433Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1235Draft: Update pytest version2023-04-24T00:23:30ZTheodore ChangDraft: Update pytest versionTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1071Draft: Extension of Workflow classes2023-04-27T10:58:09ZAndrea AlbinoDraft: Extension of Workflow classesCloses #1315Closes #1315Andrea AlbinoAndrea Albinohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1107Resolve "Porous material normalizer"2023-05-03T07:14:16ZAdam FeketeResolve "Porous material normalizer"Closes #1200Closes #1200Dinga WonankeDinga Wonankehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1278Correct usage2023-05-15T00:18:01ZTheodore ChangCorrect usageTheodore ChangTheodore Changhttps://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/1293Resolve "issue with the test artifact generation script"2023-05-19T00:20:08ZAdam FeketeResolve "issue with the test artifact generation script"Closes #1500Closes #1500Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1311Draft: Resolve "bug in yaml archive file processing"2023-05-30T08:00:56ZMohammad NakhaeeDraft: Resolve "bug in yaml archive file processing"Closes #1148Closes #1148Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1315Draft: Resolve "Refactor tabular parsing"2023-06-01T13:06:03ZAmir GolparvarDraft: Resolve "Refactor tabular parsing"Closes #1456Closes #1456Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1348Draft: Fix nomad lab install2023-06-14T15:45:22ZMarkus ScheidgenDraft: Fix nomad lab installhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1331Resolve "FileEditQuantity on a list-shaped quantity does not allow to navigat...2023-06-15T12:51:27ZAhmed IlyasResolve "FileEditQuantity on a list-shaped quantity does not allow to navigate to the file preview."Closes #1525Closes #1525Ahmed IlyasAhmed Ilyashttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1351Draft: Resolve "scatter plot annotation"2023-06-16T09:46:35ZMohammad NakhaeeDraft: Resolve "scatter plot annotation"Closes #1543Closes #1543Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1307Draft: Resolve "Survey 3rd-party ELNs for integration"2023-06-20T07:53:12ZAmir GolparvarDraft: Resolve "Survey 3rd-party ELNs for integration"Closes #896Closes #896Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1317Draft: Updates pynxtools to v0.0.22023-06-22T07:13:21ZFlorian DobenerDraft: Updates pynxtools to v0.0.2https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1386Draft: Resolve "Allow to parameterize error and warning logs with a path to t...2023-07-05T10:46:08ZAhmed IlyasDraft: Resolve "Allow to parameterize error and warning logs with a path to the quantity or section that causes the error."Closes #1557Closes #1557Ahmed IlyasAhmed Ilyashttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1389Soap Descriptors2023-07-08T09:57:27ZJames DarbySoap DescriptorsThe goal here is to write a normalizer that computes SOAP descriptors for representative structures. These descriptors could then be used for things like visualising the database with a PCA plot or querying the database for similar struc...The goal here is to write a normalizer that computes SOAP descriptors for representative structures. These descriptors could then be used for things like visualising the database with a PCA plot or querying the database for similar structures or environments.
@mscheidg This is an initial proposal for the normalizer that runs on my local OASIS with the "example uploads".https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1411Draft: Resolve "Add ButtonEditQuantity"2023-07-18T11:23:42ZMichael GötteDraft: Resolve "Add ButtonEditQuantity"Closes #1607
- I copied ```BoolEditQuantity.js```to ```ButtonEditQuantity.js```
- I used ```@material-ui/core Button``` element
- I copied save functionality from ```.../archive/ArchiveBrowser.js``` not sure if this is correct.
This i...Closes #1607
- I copied ```BoolEditQuantity.js```to ```ButtonEditQuantity.js```
- I used ```@material-ui/core Button``` element
- I copied save functionality from ```.../archive/ArchiveBrowser.js``` not sure if this is correct.
This is how the button element looks like right now.
![grafik](/uploads/57879a5659780d8ca0ae27b2394540eb/grafik.png)Michael GötteMichael Göttehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1426Draft: Resolve "ELN metainfo load problem 2"2023-08-02T12:59:42ZAhmed IlyasDraft: Resolve "ELN metainfo load problem 2"Closes #1644Closes #1644Ahmed IlyasAhmed Ilyashttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1424Resolve "Adjust the RAM requirement of the util deployment"2023-08-03T07:45:02ZAdam FeketeResolve "Adjust the RAM requirement of the util deployment"Closes #1636Closes #1636Adam FeketeAdam Feketehttps://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 Rudzinski