nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2022-08-17T07:26:09Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/772new reference to yaml (#954)2022-08-17T07:26:09ZMohammad Nakhaeenew reference to yaml (#954)Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/792empty eln (#982)2022-08-18T08:35:20ZMohammad Nakhaeeempty eln (#982)Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/798Resolve "The processing of the uploads fails on util and develop deployments"2022-08-18T11:39:15ZAdam FeketeResolve "The processing of the uploads fails on util and develop deployments"Closes #988Closes #988Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/775Resolve "Energy Convergence Plot not displaying for Molecular Dynamics Geomet...2022-08-19T11:00:34ZLauri HimanenResolve "Energy Convergence Plot not displaying for Molecular Dynamics Geometry Optimization"Closes #956Closes #956Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/781Added abacus parser2022-08-19T11:44:25ZAlvin Noe LadinesAdded abacus parserAdded abacus parserAdded abacus parserAlvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/793Add installationUrl to entry store2022-08-19T12:12:02ZDavid SikterAdd installationUrl to entry storeSimilarly to what was previously done for uploads, add `installationUrl` to the entry store methods. Part of #828.Similarly to what was previously done for uploads, add `installationUrl` to the entry store methods. Part of #828.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/799Develop update parser2022-08-19T16:26:43ZAlvin Noe LadinesDevelop update parserUpdate parser versionsUpdate parser versionsAlvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/789Fix creation of POTCAR.stripped.stripped etc files2022-08-23T12:37:40ZDavid SikterFix creation of POTCAR.stripped.stripped etc filesCloses #979. Makes sure that we don't create a stripped version of a POTCAR file that has already been stripped, and that we exclude files named `POTCAR*.stripped.stripped` when packaging the public files, so the redundant files will dis...Closes #979. Makes sure that we don't create a stripped version of a POTCAR file that has already been stripped, and that we exclude files named `POTCAR*.stripped.stripped` when packaging the public files, so the redundant files will disappear when reprocessing.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/778Modify nomad/normalizing/material.py to include classification of 2D and...2022-08-24T08:19:34ZThea DenellModify nomad/normalizing/material.py to include classification of 2D and...Modify nomad/normalizing/material.py to include classification of 2D and surfaces to results.material.topology. Also added the unit test for that functionality and reference data for the unit test
Closes #855Modify nomad/normalizing/material.py to include classification of 2D and surfaces to results.material.topology. Also added the unit test for that functionality and reference data for the unit test
Closes #855Thea DenellThea Denellhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/732Resolve "Finetuning to nomad oasis' docker-compose"2022-08-25T06:51:30ZAdam FeketeResolve "Finetuning to nomad oasis' docker-compose"Closes #930Closes #930https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/809Updated band parser2022-08-29T10:33:44ZAlvin Noe LadinesUpdated band parserUpdated and renamed the band parser.Updated and renamed the band parser.Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/804Added super() calls in ELN base sections2022-08-29T10:34:40ZJose Marquez PrietoAdded super() calls in ELN base sectionsAdded super() calls in ELN base sections to support multiple inheritance in custom schemas
Closes #1000Added super() calls in ELN base sections to support multiple inheritance in custom schemas
Closes #1000Jose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/805Resolve ""Run" section missing in the Entry data"2022-08-29T12:12:39ZDavid SikterResolve ""Run" section missing in the Entry data"Closes #951. The reason for the bug was an optimization that didn't work as expected. The store has now been improved, so that filtered archive queries are supported. The store interface has also been improved to allow optimizations by c...Closes #951. The reason for the bug was an optimization that didn't work as expected. The store has now been improved, so that filtered archive queries are supported. The store interface has also been improved to allow optimizations by components asking only for certain parts of the archive data.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/796Resolve "Unit issue with delta degrees"2022-08-29T12:32:13ZLauri HimanenResolve "Unit issue with delta degrees"Closes #987Closes #987Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/803Resolve "Oasis installation documentation is broken"2022-08-30T09:03:44ZMarkus ScheidgenResolve "Oasis installation documentation is broken"Closes #998Closes #998Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/802Resolve "Edit problem with custom schema"2022-08-30T12:47:16ZAmir GolparvarResolve "Edit problem with custom schema"Closes #983Closes #983Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/801file pagination (#858)2022-09-01T14:34:53ZMohammad Nakhaeefile pagination (#858)It handles also loading from url. The url may includes folders which are located in the next pages. If I do not find the item in the first pagination it goes to the next page until the item is found.It handles also loading from url. The url may includes folders which are located in the next pages. If I do not find the item in the first pagination it goes to the next page until the item is found.Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/797resolving array of sections (#897)2022-09-02T06:01:36ZMohammad Nakhaeeresolving array of sections (#897)This MR was separated from the !788 since there were two different subjects in one issue.This MR was separated from the !788 since there were two different subjects in one issue.Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/756Resolve "Copy function for files/mainfiles"2022-09-02T08:02:33ZAmir GolparvarResolve "Copy function for files/mainfiles"Closes #840Closes #840Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/814Resolve "Show attributes and dimensionality in metainfo browser"2022-09-02T09:12:30ZMarkus ScheidgenResolve "Show attributes and dimensionality in metainfo browser"Closes #1021Closes #1021Markus ScheidgenMarkus Scheidgen