nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2020-10-26T07:05:02Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/195Updated the behaviour of the StructureViewer in ArchiveBrowser as per issue #4312020-10-26T07:05:02ZLauri HimanenUpdated the behaviour of the StructureViewer in ArchiveBrowser as per issue #431Now the viewer can be enabled after user permission for larger systems. Also included a small update to the viewer that corrects how structures are fit to the visualization canvas.Now the viewer can be enabled after user permission for larger systems. Also included a small update to the viewer that corrects how structures are fit to the visualization canvas.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/198Text parser2020-10-29T16:28:58ZAlvin Noe LadinesText parserImplementation of new fhiaims parser, sub parsing in fileparserImplementation of new fhiaims parser, sub parsing in fileparserMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/199Materials index and new Encyclopedia API2020-10-29T09:32:36ZLauri HimanenMaterials index and new Encyclopedia APIAdded separate ES index for materials, implemented new much faster Encyclopedia API based on that index, added CLI command for (re)-indexing materials, updated the Phonopy parser to output calculation references, improved Enc API documen...Added separate ES index for materials, implemented new much faster Encyclopedia API based on that index, added CLI command for (re)-indexing materials, updated the Phonopy parser to output calculation references, improved Enc API documentation, added option to search band gap ranges in Enc GUI, added option to restrict searches to individual calculations in the Enc GUI (this sort of replaces the obsolete "complex search" options which were not even working in the old version..)
This branch is currently running on the beta deployment and can be tested there.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/200Phonopy fix2020-10-30T08:09:28ZAlvin Noe LadinesPhonopy fixRestructured phonopy parser and added kwargs for phonon property calculation.Restructured phonopy parser and added kwargs for phonon property calculation.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/202Improved search page layout, fixed issue in band structure plots not showing ...2020-11-02T13:39:13ZLauri HimanenImproved search page layout, fixed issue in band structure plots not showing all segment labels.You can check the changes in the beta deployment: https://nomad-lab.eu/prod/rae/beta/encyclopedia/#/searchYou can check the changes in the beta deployment: https://nomad-lab.eu/prod/rae/beta/encyclopedia/#/searchMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/203Added support for visualizing structures without a unit cell, fixed issue in ...2020-11-02T23:13:18ZLauri HimanenAdded support for visualizing structures without a unit cell, fixed issue in the viewer not clearing out data from a previous visualization.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/204Merge for release2020-11-03T07:05:31ZMarkus ScheidgenMerge for releasehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/205Merge for release2020-11-03T11:04:00ZMarkus ScheidgenMerge for releasehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/206Removed VR dropdown, removed unnecessary host variable (guiRoot) from deploym...2020-11-07T08:56:44ZLauri HimanenRemoved VR dropdown, removed unnecessary host variable (guiRoot) from deployment configMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/207Changed configuration and ops artifacts to reflect the new k8s cluster we use...2020-11-09T07:35:06ZMarkus ScheidgenChanged configuration and ops artifacts to reflect the new k8s cluster we use. Lots of ops artifacts where moved into the private project.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/208Metainfo improvements (#419): aliases instead of synonyms, documentation, bro...2020-11-09T15:34:30ZMarkus ScheidgenMetainfo improvements (#419): aliases instead of synonyms, documentation, browser improvements.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/209Merge for release v0.9.42020-11-10T10:47:22ZMarkus ScheidgenMerge for release v0.9.4https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/210Merge for release v0.9.52020-11-11T13:22:05ZMarkus ScheidgenMerge for release v0.9.5https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/211Fixes issues with the Encyclopedia API parameter/response models (fixes #443)...2020-11-13T07:51:21ZLauri HimanenFixes issues with the Encyclopedia API parameter/response models (fixes #443), improved the materials indexing command.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/212Updated description README.md [skip-ci]2020-11-18T14:00:33ZAviral VaidUpdated description README.md [skip-ci]I'm going through the documentation and polishing it a bit to improve understanding.I'm going through the documentation and polishing it a bit to improve understanding.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/213Merge for release v0.9.6.2020-11-18T14:23:03ZMarkus ScheidgenMerge for release v0.9.6.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/214Improved the Encyclopedia API documentation, made the API input for chemical ...2020-11-20T06:15:46ZLauri HimanenImproved the Encyclopedia API documentation, made the API input for chemical elements into a list instead of a comma-separated string, added license boilerplate to the CLI command that generates the units.js file.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/215Merge for release v0.9.72020-11-23T14:02:32ZMarkus ScheidgenMerge for release v0.9.7https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/216Added tests and fixes for structure list sort and pagination. #4502020-11-27T07:37:19ZMarkus ScheidgenAdded tests and fixes for structure list sort and pagination. #450https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/217Added gui code to pypi package. Added documentation for bare-metal oasis inst...2020-12-04T12:53:38ZMarkus ScheidgenAdded gui code to pypi package. Added documentation for bare-metal oasis install.