nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-12-04T08:10:24Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1576Added wrap mode option to the API endpoint for retrieving system geometries.2023-12-04T08:10:24ZLauri HimanenAdded wrap mode option to the API endpoint for retrieving system geometries.Closes #1804Closes #1804Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1542Resolve "Unit selection component"2023-12-01T06:01:20ZLauri HimanenResolve "Unit selection component"Closes #1758, #960Closes #1758, #960Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1571Resolve "Improved error handling in the user defined quantities menu"2023-11-30T14:00:12ZLauri HimanenResolve "Improved error handling in the user defined quantities menu"Closes #1792Closes #1792Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1510Resolve "Search interface improvements"2023-11-01T06:55:21ZLauri HimanenResolve "Search interface improvements"Closes #1740Closes #1740Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1502Resolve "Workflow for chemical reaction steps"2023-10-23T16:51:59ZAlvin Noe LadinesResolve "Workflow for chemical reaction steps"Closes #1430Closes #1430Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1498Fixed issue with column table column descriptions, fixed issue with searchbar...2023-10-14T13:05:33ZLauri HimanenFixed issue with column table column descriptions, fixed issue with searchbar...Fixed issue with column table column descriptions, fixed issue with searchbar data type query, added filterGroups into SearchContext.
Closes #1693Fixed issue with column table column descriptions, fixed issue with searchbar data type query, added filterGroups into SearchContext.
Closes #1693Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1436Resolve "Some Tabular parser features to revise or add"2023-10-05T06:59:58ZAmir GolparvarResolve "Some Tabular parser features to revise or add"Closes #1637Closes #1637Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1482Exposed upload_name in the search, added suggestions for upload_name.2023-10-03T05:34:16ZLauri HimanenExposed upload_name in the search, added suggestions for upload_name.Closes #1708Closes #1708Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1483Resolve "JS file HTTP Cache-Control"2023-10-02T13:29:28ZMarkus ScheidgenResolve "JS file HTTP Cache-Control"Closes #1701
- uses max-age and must-revalidate on all static resources
- max-age is 0 on js,html,css (unless its a chunk with hash)
- max-age is one week for chunks with hash
- max-age is configurable for images resources
- implemente...Closes #1701
- uses max-age and must-revalidate on all static resources
- max-age is 0 on js,html,css (unless its a chunk with hash)
- max-age is one week for chunks with hash
- max-age is configurable for images resources
- implemented Etag for artifacts.js and env.js based on a hash calculated from artifacts and env content as app start uphttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1438Resolve "Aggregations for custom quantities"2023-09-20T12:13:23ZLauri HimanenResolve "Aggregations for custom quantities"Closes #1502Closes #1502Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1460Resolve "Application Token"2023-09-19T14:01:54ZSascha KlawohnResolve "Application Token"Closes #1654
Implements endpoint `/app_token?expires_in=<int>` for simple tokens like the signature token to access every endpoint available with the Keycloak access token via the `Authorization: Bearer <app token>` header. Adds tests ...Closes #1654
Implements endpoint `/app_token?expires_in=<int>` for simple tokens like the signature token to access every endpoint available with the Keycloak access token via the `Authorization: Bearer <app token>` header. Adds tests for requesting the both app and signature token with and without authorization. Adds a single test to access a restricted endpoint (`/users/me`) with the app token.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1462Resolve "Update orjson"2023-09-15T12:29:44ZLauri HimanenResolve "Update orjson"Closes #1656Closes #1656Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1332Resolve "Mongo and elasticsearch authentication"2023-09-01T12:03:47ZMarkus ScheidgenResolve "Mongo and elasticsearch authentication"Closes #1526Closes #1526https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1367Resolve "ELN for integration (elabFTW, labfolder, chemotion)"2023-07-27T12:17:13ZAmir GolparvarResolve "ELN for integration (elabFTW, labfolder, chemotion)"Related #896Related #896Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1327Resolve "ReferenceEditQuantity does not allow navigation to entries with proc...2023-06-23T10:21:12ZAhmed IlyasResolve "ReferenceEditQuantity does not allow navigation to entries with processing errors"Closes #1519Closes #1519Ahmed IlyasAhmed Ilyashttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1363Resolve "Adding option to create one new entry for all rows in tabular parser"2023-06-21T12:02:41ZAmir GolparvarResolve "Adding option to create one new entry for all rows in tabular parser"Closes #1560Closes #1560Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1294Resolve "MOF normalizer"2023-06-19T07:55:07ZDinga WonankeResolve "MOF normalizer"Closes #1464
Created a new mofnormalizer
1) Identify whether an input is a MOF
2) Check for the presence of guest molecules and if yes, remove it before computing the properties of the MOFs
3) Compute geometric properties of MOFs such a...Closes #1464
Created a new mofnormalizer
1) Identify whether an input is a MOF
2) Check for the presence of guest molecules and if yes, remove it before computing the properties of the MOFs
3) Compute geometric properties of MOFs such as PLD, LCD, AV, ASA, void fraction and number of channels. This is computed using a probe of radius 1.86 corresponding to the atomic radii of nitrogen and runs for 5000 cycles. In the future, users should be able to use their own properties.
4) Deconstruct the MOF into their unique building units. This include the metal secondary building unit, organic secondary building unit and organic ligandDinga WonankeDinga Wonankehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1362Resolve "minor fixes of third-party elns"2023-06-16T17:07:58ZAmir GolparvarResolve "minor fixes of third-party elns"Closes #1559Closes #1559Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1352Fixed ASE warnings about get_number_of_atoms and the usage of arrays with uni...2023-06-15T10:08:19ZLauri HimanenFixed ASE warnings about get_number_of_atoms and the usage of arrays with units in creating Atoms.Closes #1544Closes #1544Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1319Implement eos fit normalization #14392023-06-08T19:20:53ZAlvin Noe LadinesImplement eos fit normalization #1439Closes #1439Closes #1439Alvin Noe LadinesAlvin Noe Ladines