nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-09-21T14:26:10Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1466Resolve "New thermostat metadata needed for OpenMX parsing of MD data"2023-09-21T14:26:10ZJoseph RudzinskiResolve "New thermostat metadata needed for OpenMX parsing of MD data"Closes #1684
I have simply added repeats to the sections ThermostatParameters and BarostatParameters here and added 1 enum value for thermostat type.Closes #1684
I have simply added repeats to the sections ThermostatParameters and BarostatParameters here and added 1 enum value for thermostat type.Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1465Added metadata in results to search for measurements and in particular xrd2023-09-27T13:25:22ZJose Marquez PrietoAdded metadata in results to search for measurements and in particular xrdThis adds a few sections and quantities to the current results to make measurements searchable. It will start being populated from schemas and parsers developed in https://github.com/FAIRmat-NFDI/nomad-measurements.
@himanel1 can you h...This adds a few sections and quantities to the current results to make measurements searchable. It will start being populated from schemas and parsers developed in https://github.com/FAIRmat-NFDI/nomad-measurements.
@himanel1 can you have a look at this? Should be a quick one for you. In the future, we can refactor the EBSD database and remove the top-level measurements section.
@lucamghi, @sbrueck, @sanbrock, @hnaesstroem I tagged you just in case you want to have a second look at it.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1464Minor fix solid dmft2023-09-26T15:03:19ZJose PizarroMinor fix solid dmftMinor metainfo adjustements to allocate for better parsing of solid_dmft and other DMFT parsers: https://github.com/nomad-coe/electronic-parsers/pull/164Minor metainfo adjustements to allocate for better parsing of solid_dmft and other DMFT parsers: https://github.com/nomad-coe/electronic-parsers/pull/164Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1463Resolve "High accuracy porosity modification"2023-09-15T11:18:55ZDinga WonankeResolve "High accuracy porosity modification"The initial code only computed standard porosity. But now included a functionality such that it should perform high accuracy computation of
porosity. The high accuracy computation has now been set as the default value. Some minor change...The initial code only computed standard porosity. But now included a functionality such that it should perform high accuracy computation of
porosity. The high accuracy computation has now been set as the default value. Some minor changes have also been made on the python doc string.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/1461Resolve "NGL viewer update"2023-09-15T09:24:15ZLauri HimanenResolve "NGL viewer update"Closes #1424Closes #1424Lauri 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/1459Add check for `normalization_factors` for the `Normalize intensities` optino...2023-09-11T08:35:42ZNathan DaelmanAdd check for `normalization_factors` for the `Normalize intensities` optino...Add check for `normalization_factors` for the `Normalize intensities` option under the DOS kebab menu
Closes #1663Add check for `normalization_factors` for the `Normalize intensities` option under the DOS kebab menu
Closes #1663Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1458Update parser2023-09-07T11:05:16ZAlvin Noe LadinesUpdate parserAlvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1457Resolve "Authentication problem"2023-09-01T15:58:25ZLauri HimanenResolve "Authentication problem"Closes #1673Closes #1673Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1456Resolve "Add Activity ID to ExperiementStep"2023-09-01T13:15:42ZHampus NaesstroemResolve "Add Activity ID to ExperiementStep"Closes #1672Closes #1672Hampus NaesstroemHampus Naesstroemhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1455Resolve "Basesections Should Populate Workflow Section"2023-10-20T13:02:58ZHampus NaesstroemResolve "Basesections Should Populate Workflow Section"Closes #1658Closes #1658Hampus NaesstroemHampus Naesstroemhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1454Resolve "ReadableIdentifiers Normalizers Fails"2023-09-08T09:07:13ZHampus NaesstroemResolve "ReadableIdentifiers Normalizers Fails"Closes #1670
Closes #1594Closes #1670
Closes #1594Hampus NaesstroemHampus Naesstroemhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1453Updated ref to electronic-parsers with CP2K fix2023-08-29T08:18:05ZJose PizarroUpdated ref to electronic-parsers with CP2K fixhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1452CLI utility to export archive data2023-09-19T13:56:26ZMarkus ScheidgenCLI utility to export archive data... e.g. for use in machine learning.... e.g. for use in machine learning.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1450Added oasis registration link to the docs.2023-08-24T12:03:59ZMarkus ScheidgenAdded oasis registration link to the docs.Changelog: AddedChangelog: Addedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1449New DOS schema2023-10-31T09:36:36ZJose PizarroNew DOS schemaAdded a new dos_electronic schema in run and results.Added a new dos_electronic schema in run and results.Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1448fixed2023-08-17T15:43:35ZJoseph RudzinskifixedCloses #1661Closes #1661Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1447Updating all files and submodule for stm integration.2023-08-31T13:00:04ZRubel MozumderUpdating all files and submodule for stm integration.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1446Resolve "Reviewer not counting for max number of uploads"2023-08-23T12:32:39ZMarkus ScheidgenResolve "Reviewer not counting for max number of uploads"Closes #1651Closes #1651