nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2024-03-28T15:54:36Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1760Check upload groups2024-03-28T15:54:36ZSascha KlawohnCheck upload groupsThis adds checking the existence of a group before adding it to an upload and tests it.
Also fixes a flaky test by adding "yet (another) test user" who is not a writer of the upload.This adds checking the existence of a group before adding it to an upload and tests it.
Also fixes a flaky test by adding "yet (another) test user" who is not a writer of the upload.Sascha KlawohnSascha Klawohnhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1618ci error on format failure2023-12-22T15:12:25ZAhmed Ilyasci error on format failureAhmed IlyasAhmed Ilyashttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/493Clean API user metadata.2021-12-17T18:15:37ZMarkus ScheidgenClean API user metadata.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/492Clean API user metadata.2021-12-17T18:16:03ZMarkus ScheidgenClean API user metadata.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/462Cleaned up remaining Encyclopedia-specific functionality.2021-11-25T07:36:43ZLauri HimanenCleaned up remaining Encyclopedia-specific functionality.- All the functionality of the `EncyclopediaNormalizer` is now integrated into `ResultsNormalizer`.
- Migrated `test_encyclopedia.py` into `test_material.py`, `test_method.py` and `test_properties.py`. together with a few new tests.
- Re...- All the functionality of the `EncyclopediaNormalizer` is now integrated into `ResultsNormalizer`.
- Migrated `test_encyclopedia.py` into `test_material.py`, `test_method.py` and `test_properties.py`. together with a few new tests.
- Removed the Encyclopedia GUI image dependency and docker build phase.
- Removed most Encyclopedia related config from nginx, helm and config.py. The only remaining config is `encyclopediaBase` (GUI) and `encyclopedia_base` (nomad.yaml), which activates/deactivates links to the Encyclopedia installation at that address. If undefined, the links will not be shown.
- Updated `materia` to support visualizing 2D and 1D cells that may have zero-length basis vectors. With this update, the overview page now also shows the conventional/primitive cell for 1D and 2D systems.
- Fixed issue with the ordering of basis vectors for conventional/primitive 1D and 2D structures. Now the order is fixed so that the periodic bases always come first.
- Fixed issue where the optional `nmd`-prefixed Optimade data was not accepting data with unit information (`ureg.Quantity`) and was failiing when trying to serialize data set to `None`.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/640Cleanup the example for lane_width (#805)2022-04-21T10:05:06ZMohammad NakhaeeCleanup the example for lane_width (#805)Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1452CLI utility to export archive data2023-09-19T13:56:26ZMarkus ScheidgenCLI utility to export archive data... e.g. for use in machine learning.... e.g. for use in machine learning.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/963Compare DOS for integrals, not means2023-01-13T23:18:13ZNathan DaelmanCompare DOS for integrals, not meansUpdates `test_dos_magnitude` which compares Si DOS from VASP, FHIaims and _exciting_ to use the integral over the occupied valence states rather than the mean.
The result is a unanimous answer of 8 electrons, with deviations of up to 0.0...Updates `test_dos_magnitude` which compares Si DOS from VASP, FHIaims and _exciting_ to use the integral over the occupied valence states rather than the mean.
The result is a unanimous answer of 8 electrons, with deviations of up to 0.05 electron charge, instead of unintelligible values into the 1e46, where the order of deviation is much larger.
Closes #1201Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/153Complex query2020-08-20T18:12:28ZAlvin Noe LadinesComplex queryImplemented complex query to archive, repo and raw api endpoints.Implemented complex query to archive, repo and raw api endpoints.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/730Concurrent editing (#841)2022-07-01T06:11:07ZMohammad NakhaeeConcurrent editing (#841)Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1712copy local path to temp directory2024-03-07T12:54:20ZAhmed Ilyascopy local path to temp directoryIf a local path is provided, copy it to a temp dir before importing. Otherwise when the upload is deleted, the original local path file ends up getting deleted too.If a local path is provided, copy it to a temp dir before importing. Otherwise when the upload is deleted, the original local path file ends up getting deleted too.Ahmed IlyasAhmed Ilyashttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1341Correction of typos2023-06-09T07:31:11ZDinga WonankeCorrection of typosCloses #1535
Corrected a few typos in in the documentationCloses #1535
Corrected a few typos in in the documentationDinga WonankeDinga Wonankehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/995Correct qe epw parser metadata2022-12-17T16:48:20ZAlvin Noe LadinesCorrect qe epw parser metadataAlvin Noe LadinesAlvin Noe Ladineshttps://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/256Crystal parser update2021-02-08T13:43:55ZLauri HimanenCrystal parser updateParser fixes based on #491 and #492.Parser fixes based on #491 and #492.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1383csv pandasResolve "problem with parsing extra_fields in elabftw parser"2023-07-07T08:32:24ZAmir Golparvarcsv pandasResolve "problem with parsing extra_fields in elabftw parser"Closes #1591Closes #1591Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/344Dcat catalog full2021-05-27T12:57:30ZMarkus ScheidgenDcat catalog fullhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1041Debug: version attribute takes string as it should be.2023-02-06T18:03:11ZRubel MozumderDebug: version attribute takes string as it should be.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/944Decreased the size limit for processing topology, skipped topology tests2022-11-11T14:05:49ZLauri HimanenDecreased the size limit for processing topology, skipped topology testsA hotfix for #1174.A hotfix for #1174.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/693defaultDisplayUnit (#862)2022-06-10T06:32:01ZMohammad NakhaeedefaultDisplayUnit (#862)Mohammad NakhaeeMohammad Nakhaee