nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2021-03-09T07:57:23Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/263New quantum espresso parser2021-03-09T07:57:23ZAlvin Noe LadinesNew quantum espresso parserImplemented new quantum espresso parser based on TextParserImplemented new quantum espresso parser based on TextParserMarkus ScheidgenMarkus Scheidgenhttps://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/1286new Rg tests for MD workflow2023-05-16T11:16:43ZJoseph Rudzinskinew Rg tests for MD workflowCloses #1490
@ladinesa This should fix your memory issues for the workflow tests for MD. Once you confirm, I will merge and also remove the corresponding issues in the atomistic parser.Closes #1490
@ladinesa This should fix your memory issues for the workflow tests for MD. Once you confirm, I will merge and also remove the corresponding issues in the atomistic parser.Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/365New Search Interface2021-08-09T14:04:34ZLauri HimanenNew Search InterfaceCompletely rewritten search interface and search context for entries. Major changes include:
- New components for advanced querying:
- FilterText.js: freeform text search with suggestion
- FilterSelect.js: Dropdown for search options...Completely rewritten search interface and search context for entries. Major changes include:
- New components for advanced querying:
- FilterText.js: freeform text search with suggestion
- FilterSelect.js: Dropdown for search options with large number of available values
- FilterCheckboxes.js: Checkboxes for search options with small number of available values
- FilterSlider.js: Two-handled slider for selecting a numeric range
- FilterDate.js: For selecting a date-range.
- FilterContext.js: provides several custom hooks for interacting with the current set of search filters. Optimized usage of Recoil.js Atoms and Selectors that minimize the number of renders when filters are updated. Also has a built-in debounce mechanism.
- Improved unit conversion tools (needed especially for recalculating Filter values from the current unit system to SI and back).
- Completely rewritten search bar: Now provides meaningful suggestions, is synced with the filters shown on the left panel, supports simple range queries, has a primitive validation mechanism.
Also fixes the following API issues:
- Fixed issues with range validation when using gte, lte queries for numeric values and timestamps.
- Fixed issue with invalid 'next_page_after_value' reported by the API.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/362New sync api2021-09-04T15:51:45ZDavid SikterNew sync apiIntroduces new functionality for downloading and uploading "upload bundles" from/to NOMAD deployments. Intended to replace existing CLI and publish-from-oasis functionality.
An "upload bundle" is a file bundle (a zipfile, normally) cont...Introduces new functionality for downloading and uploading "upload bundles" from/to NOMAD deployments. Intended to replace existing CLI and publish-from-oasis functionality.
An "upload bundle" is a file bundle (a zipfile, normally) containing all information (raw files, archive files, metadata) needed for transferring an upload from one NOMAD deployment to another. They are also intended for internal operations and for future CLI commands for doing things like "pulling" all new uploads from the central NOMAD to an oasis.
The main methods for exporting and importing are defined in `nomad.processing.Upload`, named `export_bundle` and `import_bundle`, respectively. They are quite parametrized (maybe too parametrized?) to allow for flexibility. The import method does more extensive checking than the existing functionality for importing uploads from OASIS. In the future, we might also want to include code for conversion between different nomad versions.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/316New turbomoleparser2021-04-21T14:29:02ZAlvin Noe LadinesNew turbomoleparserMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/258New vasp parser2021-02-10T07:37:12ZMarkus ScheidgenNew vasp parserhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/271New vasp parser fixes2021-03-03T16:02:23ZAlvin Noe LadinesNew vasp parser fixesMarkus ScheidgenMarkus Scheidgenhttps://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/957New workflow visualizer2023-02-11T00:06:53ZAlvin Noe LadinesNew workflow visualizerImplementation of visualizer following the new workflow schema.Implementation of visualizer following the new workflow schema.Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/866Nexus eln examples2022-12-21T14:50:27ZSherjeel ShabihNexus eln examplesSherjeel ShabihSherjeel Shabihhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/883Nexus examples downloads2022-12-21T14:35:52ZMarkus ScheidgenNexus examples downloadsI replaced the downloads in `generate_example_uplods.sh` with respective downloads that are done during processing. We are about to drastically reduce the size of our images and I do not want to loose these gains immediately. This also f...I replaced the downloads in `generate_example_uplods.sh` with respective downloads that are done during processing. We are about to drastically reduce the size of our images and I do not want to loose these gains immediately. This also fixes some of the issues in the examples and triggers `.nxs` processing while processing ELNs.Sherjeel ShabihSherjeel Shabihhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/695Non editable section card (#857)2022-06-08T14:18:15ZMohammad NakhaeeNon editable section card (#857)Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1591Normalizer level2023-12-18T16:45:01ZAlvin Noe LadinesNormalizer levelAlvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1036North api2023-01-17T10:01:54ZMarkus ScheidgenNorth apiAdded a north API that replaces nomad logic in jupyterhub and nomad GUI.
- moves responsibility from north GUI into a new north API that now list, starts, and stops tools
- jupyterhub becomes independent from nomad code as all nomad spe...Added a north API that replaces nomad logic in jupyterhub and nomad GUI.
- moves responsibility from north GUI into a new north API that now list, starts, and stops tools
- jupyterhub becomes independent from nomad code as all nomad specific tasks are done in the new north API
- north API uses jupyterhub service to authenticate, no user tokens required anymore
Changelog: addedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/393North GUI2021-09-30T07:41:39ZLauri HimanenNorth GUIThe initial version of the NORTH GUI: main page for a selection of available tools, launch page for a tool, reusable components for launch button and launch item.The initial version of the NORTH GUI: main page for a selection of available tools, launch page for a tool, reusable components for launch button and launch item.Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/399NORTH GUI Update2021-10-06T12:46:57ZLauri HimanenNORTH GUI Update- Moved the CORS middleware to the top app level to allow CORS access on all API routes.
- `NORTHMainPage` now uses the NORTH API to fetch a list of tools and whether there is a running instance of the tool.
- The launch page now uses a ...- Moved the CORS middleware to the top app level to allow CORS access on all API routes.
- `NORTHMainPage` now uses the NORTH API to fetch a list of tools and whether there is a running instance of the tool.
- The launch page now uses a POST message to get a container path and probes it until it is "alive" before redirecting.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/147Oasis migration2020-08-14T17:37:20ZMarkus ScheidgenOasis migrationFixed #395Fixed #395Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/220OASIS synchronisation that allows users to push uploads from an OASIS to the ...2020-12-15T13:26:11ZMarkus ScheidgenOASIS synchronisation that allows users to push uploads from an OASIS to the central NOMAD via GUI and API.Fixes #391Fixes #391Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/272Oasis with auth2021-03-04T09:18:41ZMarkus ScheidgenOasis with auth