nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2022-12-20T09:54:23Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/984Improved SearchBar customization and suggestions and added possibility to sel...2022-12-20T09:54:23ZLauri HimanenImproved SearchBar customization and suggestions and added possibility to select the active filters for each SearchContext.Closes #1224Closes #1224Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/983Resolve "quick fix: initialise all git submodules during setup process"2022-12-13T11:26:16ZAdam FeketeResolve "quick fix: initialise all git submodules during setup process"Closes #1230Closes #1230Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/982Resolve "Showing the correct label for array of section"2022-12-15T15:41:30ZMohammad NakhaeeResolve "Showing the correct label for array of section"Closes #1229Closes #1229Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/981Resolve "Nomad config formalization"2022-12-20T14:51:03ZMarkus ScheidgenResolve "Nomad config formalization"Closes #1202Closes #1202https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/980New workflow normalizer2022-12-22T11:23:13ZAlvin Noe LadinesNew workflow normalizerImplement normalization of workflow2 in atomistic and electronic parsersImplement normalization of workflow2 in atomistic and electronic parsersMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/979Fix qe parser #12222022-12-12T17:29:42ZAlvin Noe LadinesFix qe parser #1222Closes #1222Closes #1222Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/978Resolve "Gui config created in wrong directory?"2022-12-12T13:17:08ZAdam FeketeResolve "Gui config created in wrong directory?"Closes #1221Closes #1221Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/977Resolve "json annotation is not correctly shown in GUI"2022-12-13T13:11:13ZMarkus ScheidgenResolve "json annotation is not correctly shown in GUI"Closes #1188Closes #1188Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/976use the new section defs to fetch all the related references2022-12-13T12:40:07ZMohammad Nakhaeeuse the new section defs to fetch all the related referencesCloses #1215Closes #1215Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/975Resolve "Cannot run nomad oasis with the new build system"2022-12-12T09:36:17ZAdam FeketeResolve "Cannot run nomad oasis with the new build system"Closes #1219
- [x] the north container is missing `/app/nomad/jupyterhub_config.py` and `/app/dependencies/nomad-remote-tools-hub/tools.json`
- [x] the app container tries to import `asgiref`. Its in the pyproject.toml. But for some re...Closes #1219
- [x] the north container is missing `/app/nomad/jupyterhub_config.py` and `/app/dependencies/nomad-remote-tools-hub/tools.json`
- [x] the app container tries to import `asgiref`. Its in the pyproject.toml. But for some reason not installed in the final image
- [x] ~~when you try to use the dev image instead, problems arise because the `/app` folder and all files belong to `root` and not to `nomad`/1000~~Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/974Resolve "Entry search results details throwing an exception after reference s...2022-12-08T08:01:32ZMarkus ScheidgenResolve "Entry search results details throwing an exception after reference search dialog has been used."Closes #1217Closes #1217Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/972Resolve "Client auth from access token in config"2022-12-07T08:28:50ZMarkus ScheidgenResolve "Client auth from access token in config"Closes #1213Closes #1213Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/971Update requirements and artifacts2022-12-05T07:24:57ZTheodore ChangUpdate requirements and artifactsTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/970Resolve "minor fixes for the pipeline"2022-12-02T23:09:07ZAdam FeketeResolve "minor fixes for the pipeline"Closes #1211
Quick fixes for:
- [x] Remove `env.js` from the repo completely. See more information below.
- [x] closing #1209 by removing `matid` dependency form the parser package and regenerating the requirements files
- [x] Converti...Closes #1211
Quick fixes for:
- [x] Remove `env.js` from the repo completely. See more information below.
- [x] closing #1209 by removing `matid` dependency form the parser package and regenerating the requirements files
- [x] Converting python dependency check job in CI/CD pipeline into manual job to having a cleaner feedback about the pipeline.Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/969Add bopfox parser (removed)2022-12-12T17:22:42ZAlvin Noe LadinesAdd bopfox parser (removed)Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/968Resolve "TableData parser is not parsing Datetime when use in "row" mode"2022-12-01T10:15:04ZAndrea AlbinoResolve "TableData parser is not parsing Datetime when use in "row" mode"Closes #1203Closes #1203Andrea AlbinoAndrea Albinohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/966Minor changes to the new build system.2022-12-02T07:10:39ZMarkus ScheidgenMinor changes to the new build system.I tried the new system, e.g. recreated my dev setup with the current develop. A few small things came up in the process. See review threads.I tried the new system, e.g. recreated my dev setup with the current develop. A few small things came up in the process. See review threads.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/962Resolve "GUI Breaks when using create Archive"2022-12-14T16:17:03ZMohammad NakhaeeResolve "GUI Breaks when using create Archive"Closes #1192Closes #1192Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/961Fixes in perovskite database2022-11-28T06:57:51ZJose Marquez PrietoFixes in perovskite databaseIt contains two fixes for the Perovskite Database schema and ELN Publication reference base section:
- Write 'perovskite' in `material.symmetry.structure_name` and removes it from `material.material_name`
- Makes sure that the DOIs add...It contains two fixes for the Perovskite Database schema and ELN Publication reference base section:
- Write 'perovskite' in `material.symmetry.structure_name` and removes it from `material.material_name`
- Makes sure that the DOIs added manually through the ELN can be navigated in `metadata.references` by adding the correct prefix if the string starts with '10.'
Changes `results.properties.optoelectronic.band_gap` to `band_gap_optical`. After merging this would require re-processing of solar cell entries in prod:
- Perovskite Solar Cell Database upload and all unpublished uploads with `solar_cell`s