nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2022-11-18T08:56:02Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/950Archive browser data links2022-11-18T08:56:02ZTheodore ChangArchive browser data linksCloses #999Closes #999Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/922Enable metainfo version hashes in the GUI2022-11-17T20:28:34ZDavid SikterEnable metainfo version hashes in the GUICloses #1135. Enables the GUI to handle schema urls that have version hashes in them ("frozen schemas"). Frozen schemas are fetched using a special api endpoint, which fetches an entire frozen version of a package containing the versionH...Closes #1135. Enables the GUI to handle schema urls that have version hashes in them ("frozen schemas"). Frozen schemas are fetched using a special api endpoint, which fetches an entire frozen version of a package containing the versionHash requested. During parsing, all loaded frozen definitions are stored in a cache, indexed by the version hash, which is used when resolving references. For now, this cache just accumulates definitions, and is never cleared (as the frozen schemas should be static, the only reason we might want to clear the cache is if we want to save memory, but the schemas should hopefully not take up much memory). The reason for not clearing the cache is that we want to keep the current python schema hashes in the cache.
The merge has no real effect unless the version hash functionality is enabled in `config.py`.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/934Fixes in eqe parser2022-11-17T14:35:08ZJose Marquez PrietoFixes in eqe parserIncludes some fixes in the EQE parsers:
- It does not allow to return of an Urbach energy of it is negative or larger than 0.5 eV.
- The EQE LN base class logs the error of the fit of the Urbach energy.Includes some fixes in the EQE parsers:
- It does not allow to return of an Urbach energy of it is negative or larger than 0.5 eV.
- The EQE LN base class logs the error of the fit of the Urbach energy.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/932Add missing information2022-11-17T13:27:28ZTheodore ChangAdd missing informationClose #1168Close #1168Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/939Resolve "Quantity with float value "0" is not shown in gui"2022-11-17T08:19:42ZDavid SikterResolve "Quantity with float value "0" is not shown in gui"Closes #1170. The reason for the problem was that falsey values were treated as empty values. The fix makes sure to test for if a value is undefined rather than falsey in a couple of places.
Also added fixes for three test problems (inc...Closes #1170. The reason for the problem was that falsey values were treated as empty values. The fix makes sure to test for if a value is undefined rather than falsey in a couple of places.
Also added fixes for three test problems (including the two most common reasons for GUI and python test failures).David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/946Adds test for nexus parsing error2022-11-16T05:56:40ZFlorian DobenerAdds test for nexus parsing errorhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/917Resolve "Extended topology tests"2022-11-14T22:52:57ZThea DenellResolve "Extended topology tests"Closes #1077Closes #1077Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/933Overview reference card2022-11-14T14:20:08ZTheodore ChangOverview reference cardTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/929Added plot actions2022-11-14T07:46:20ZMohammad NakhaeeAdded plot actionsAdded plot actions together with widget actions
Related to #961Added plot actions together with widget actions
Related to #961Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/941Update README.md2022-11-11T16:15:55ZMarkus ScheidgenUpdate README.mdhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/915Resolve "tabular parsing from multiple excel sheets"2022-11-11T14:28:08ZAmir GolparvarResolve "tabular parsing from multiple excel sheets"Closes #1138Closes #1138Amir GolparvarAmir Golparvarhttps://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/943Switched to updated matid version with fix for empty prototype cell.2022-11-11T12:51:33ZLauri HimanenSwitched to updated matid version with fix for empty prototype cell.Closes #1173Closes #1173Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/942Resolve "Reprocessing fails without add_matched_entries_to_published"2022-11-11T08:37:18ZMarkus ScheidgenResolve "Reprocessing fails without add_matched_entries_to_published"Closes #1175Closes #1175https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/937Resolve "Drag and drop uses the old uploaded data"2022-11-10T16:22:08ZDavid SikterResolve "Drag and drop uses the old uploaded data"Closes #1103. The problem was that even though the `CreateEntry` button does try to refresh the options in the list whenever the upload is reprocessed, it did so without clearing the DataStore caches. This caused it to still show old dat...Closes #1103. The problem was that even though the `CreateEntry` button does try to refresh the options in the list whenever the upload is reprocessed, it did so without clearing the DataStore caches. This caused it to still show old data in the drop down.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/936> Fixed regex fermi_level in FHIaims2022-11-10T12:33:21ZJose Pizarro> Fixed regex fermi_level in FHIaimsCloses #939Closes #939https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/927Resolve "ELN: Overwriting exsiting archives"2022-11-10T09:54:42ZDavid SikterResolve "ELN: Overwriting exsiting archives"Closes #1069. The button for creating new ELN archives does not allow the creation if a file by the same name already exists. Also fixed proper error messages when moving or copying files cannot be carried out because the target already ...Closes #1069. The button for creating new ELN archives does not allow the creation if a file by the same name already exists. Also fixed proper error messages when moving or copying files cannot be carried out because the target already exists. Also extended the timeout for two long-running gui tests that often fail the CI.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/910Resolve "Overview customization"2022-11-17T08:21:44ZLauri HimanenResolve "Overview customization"Closes #1139Closes #1139Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/930Improvement definition id generation2022-11-08T12:44:33ZTheodore ChangImprovement definition id generationTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/920Develop hubbard correction2022-11-07T17:33:12ZNathan DaelmanDevelop hubbard correctionAddition of DFT+U metadata (called `HubbardModel`) and parsing for VASP and FHI-aims.
On the GUI side, is `U_effective` shown in the DFT search menu, while `U` and `J` are just indexed in elasticsearch.
These features were first discusse...Addition of DFT+U metadata (called `HubbardModel`) and parsing for VASP and FHI-aims.
On the GUI side, is `U_effective` shown in the DFT search menu, while `U` and `J` are just indexed in elasticsearch.
These features were first discussed in https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/884Nathan DaelmanNathan Daelman