nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2024-03-27T10:51:00Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1755Draft: Constrain group name: unique, url-safe, not 'all'2024-03-27T10:51:00ZSascha KlawohnDraft: Constrain group name: unique, url-safe, not 'all'> In preparation for upcoming feature extensions to
> the group model, we constrain the group_name to be
> a unique, url-safe string. Additionally, 'all' is
> reserved to prevent confusion.
This MR add a constraint to the mongo document...> In preparation for upcoming feature extensions to
> the group model, we constrain the group_name to be
> a unique, url-safe string. Additionally, 'all' is
> reserved to prevent confusion.
This MR add a constraint to the mongo document UserGroup. This seems to lead to errors as the old, non-unique index seems to persist and have a name conflict with the new one.Sascha KlawohnSascha Klawohnhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1700Draft: Updates pynxtools with updated dependencies for the ASE package2024-03-18T08:38:30ZSherjeel ShabihDraft: Updates pynxtools with updated dependencies for the ASE packageThis is to check if it atleast installs and compiles fine.This is to check if it atleast installs and compiles fine.Sherjeel ShabihSherjeel Shabihhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1255Draft: Resolve "Refactor metainfo Packages and references"2024-03-16T20:43:32ZTheodore ChangDraft: Resolve "Refactor metainfo Packages and references"Closes #1205Closes #1205Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1723temporary fix for removing github nomad from requirements.txt2024-03-12T15:00:11ZAhmed Ilyastemporary fix for removing github nomad from requirements.txtAhmed IlyasAhmed Ilyashttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1701Implement a rate limit in archive query2024-03-07T14:39:06ZTheodore ChangImplement a rate limit in archive queryTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1713Fixes from review comments2024-03-11T08:07:21ZAlvin Noe LadinesFixes from review commentsSome fixes to address @jrudz review.Some fixes to address @jrudz review.Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1705Draft: Resolve "CP2K parser failure"2024-03-05T11:19:33ZNathan DaelmanDraft: Resolve "CP2K parser failure"- Update `CP2K` parser with header patch
- Update `Phonopy` parser with non-canonical hexagonal cell patch
Closes #1919- Update `CP2K` parser with header patch
- Update `Phonopy` parser with non-canonical hexagonal cell patch
Closes #1919Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1451Resolve "resolve bandstructures independently from brillouin zone"2024-02-21T10:17:01ZMohammad NakhaeeResolve "resolve bandstructures independently from brillouin zone"Closes #1667Closes #1667Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1630Added gitlab ci tags to use cloud cicd runner.2024-02-12T10:44:06ZMarkus ScheidgenAdded gitlab ci tags to use cloud cicd runner.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1323Draft: Resolve "improving elabFTW parser"2024-02-08T10:39:41ZAmir GolparvarDraft: Resolve "improving elabFTW parser"Closes #1520Closes #1520Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1549Updates north submodule2024-01-31T08:11:47ZFlorian DobenerUpdates north submoduleThere was a problem with the example files download, because zenodo changed it's url from `.../record/` to `.../records/` which failed for curl, because it could not follow the redirect.There was a problem with the example files download, because zenodo changed it's url from `.../record/` to `.../records/` which failed for curl, because it could not follow the redirect.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1624Draft: Refactor run.system as a base section2024-01-29T10:46:09ZNathan DaelmanDraft: Refactor run.system as a base sectionhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1642Horizontal scaling with one worker per replica2024-01-22T21:07:53ZTheodore ChangHorizontal scaling with one worker per replicahttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1517Draft: Resolve "Create Entry Dialog lists non EntryData"2024-01-22T16:09:46ZMohammad NakhaeeDraft: Resolve "Create Entry Dialog lists non EntryData"Closes #1752Closes #1752Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1410Resolve "The dev_python image cannot be used as a replacement for the product...2024-01-11T00:27:37ZAdam FeketeResolve "The dev_python image cannot be used as a replacement for the production image"Closes #1598Closes #1598Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1623Draft: refactor run.system2024-01-04T11:04:45ZNathan DaelmanDraft: refactor run.systemApply refactoring of `run.system` toApply refactoring of `run.system` tohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1196GitHub PR: updated to the newest minor version of some of the docker images2023-12-22T08:26:36ZMarkus ScheidgenGitHub PR: updated to the newest minor version of some of the docker imagesOriginal pull request on GitHub: https://github.com/nomad-coe/nomad/pull/43Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/43https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1325Draft: Resolve "Sample History Workflow"2023-12-21T08:58:31ZJose Marquez PrietoDraft: Resolve "Sample History Workflow"Closes #1521Closes #1521https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1269Draft: Renaming nexusutils to pynxtools and updating of north examples2023-12-21T08:51:34ZFlorian DobenerDraft: Renaming nexusutils to pynxtools and updating of north examplesAdded missing refactoring of names related to the previously named tool nexusutils/nomad-parser-nexus which is now called pynxtools and hosted on FAIRmat-NFDIAdded missing refactoring of names related to the previously named tool nexusutils/nomad-parser-nexus which is now called pynxtools and hosted on FAIRmat-NFDIhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1184Draft: MBE python schema2023-12-21T08:51:29ZAndrea AlbinoDraft: MBE python schema