nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2020-05-14T17:54:48Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/108Added documentation required files to dockercontext. #3292020-05-14T17:54:48ZMarkus ScheidgenAdded documentation required files to dockercontext. #329https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/896Added eln annotations to workflow2 sections.2022-12-14T08:19:23ZHampus NaesstroemAdded eln annotations to workflow2 sections.@mscheidg and @ladinesa I added eln annotations to the `Link`, `Task` and `TaskReference` sections in `nomad.datamodel.metainfo.workflow2`. I tested it together with the following yaml schema:
```yaml
definitions:
name: My custom schem...@mscheidg and @ladinesa I added eln annotations to the `Link`, `Task` and `TaskReference` sections in `nomad.datamodel.metainfo.workflow2`. I tested it together with the following yaml schema:
```yaml
definitions:
name: My custom schemas
sections:
my_workflow:
base_sections: [nomad.datamodel.metainfo.workflow2.Workflow, nomad.datamodel.data.EntryData]
```
And could create a workflow using the ELN:
![Screenshot_from_2022-10-20_16-22-26](/uploads/f15a3d8e23ea6c1e2652121855e2c636/Screenshot_from_2022-10-20_16-22-26.png)https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1229Added ELN base section for a Structure Files in an ELN2023-05-08T12:47:14ZJose Marquez PrietoAdded ELN base section for a Structure Files in an ELNCloses #1436Closes #1436Jose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/535Added email kwarg to get_user2022-01-20T08:38:55ZMarkus ScheidgenAdded email kwarg to get_userhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/300Added endpoint to retrieve partial files of entries. #5232021-04-06T11:42:43ZMarkus ScheidgenAdded endpoint to retrieve partial files of entries. #523https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1725Added entry create time as an available search filter.2024-03-13T08:15:28ZLauri HimanenAdded entry create time as an available search filter.Closes #1931Closes #1931Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1626added example function to calc summed mass from comp model2024-02-15T15:59:34ZJoseph Rudzinskiadded example function to calc summed mass from comp modelCloses #1844
@himanel1 I need your advice here. I created a mock function in atom_utils `get_summed_atomic_mass_from_computational_model` as a demonstration of how we should try to calculate the mass_density, maybe by default, but defi...Closes #1844
@himanel1 I need your advice here. I created a mock function in atom_utils `get_summed_atomic_mass_from_computational_model` as a demonstration of how we should try to calculate the mass_density, maybe by default, but definitely in the case where the atom types are unknown. However, I am not sure about the best way to implement this: I need access to the archive to grab the masses from the `atom_parameters` section, but in the topology normalizer, we currently don't have access to this at the point where we are calculating the cell.Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1186Added example script that prints out metainfo metrics.2023-03-23T11:22:01ZMarkus ScheidgenAdded example script that prints out metainfo metrics.Changelog: AddedChangelog: Addedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/448Added exclude from search option to aggregations. #573, #5752021-11-05T18:21:56ZMarkus ScheidgenAdded exclude from search option to aggregations. #573, #575https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1524Added explanation documentation for processing.2023-11-11T15:01:21ZMarkus ScheidgenAdded explanation documentation for processing.Changelog: AddedChangelog: Addedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1630Added gitlab ci tags to use cloud cicd runner.2024-02-12T10:44:06ZMarkus ScheidgenAdded gitlab ci tags to use cloud cicd runner.https://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.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1393Added helm config options for plugins and normalize.2023-07-08T18:12:46ZMarkus ScheidgenAdded helm config options for plugins and normalize.Changelog: AddedChangelog: Addedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1176Added helper functions for creating topologies2023-03-23T06:28:14ZLauri HimanenAdded helper functions for creating topologiesAdded helper functions for creating topologies, simplified calculation topology creation accordingly.
Closes #1401Added helper functions for creating topologies, simplified calculation topology creation accordingly.
Closes #1401Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/356Added histogram and min_max aggregations to v1 api.2021-06-11T12:48:21ZMarkus ScheidgenAdded histogram and min_max aggregations to v1 api.Implements #555.Implements #555.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/951Added if statement to include the right prefix for the DOIs2022-11-18T10:28:50ZJose Marquez PrietoAdded if statement to include the right prefix for the DOIsCloses #1183Closes #1183https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1562Added ignore_above config by default for all keyword fields.2023-11-29T12:05:15ZLauri HimanenAdded ignore_above config by default for all keyword fields.Closes #1787Closes #1787Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1232Added implementation and tests for m_setdefault.2023-04-24T08:53:35ZLauri HimanenAdded implementation and tests for m_setdefault.Closes #1442Closes #1442Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1504Added JOSS paper badge and Citation in README2023-10-18T14:49:39ZJose Marquez PrietoAdded JOSS paper badge and Citation in READMEJose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/916Added logic for updating entry data based on overview visibility.2022-11-01T08:31:26ZLauri HimanenAdded logic for updating entry data based on overview visibility.Closes #1153Closes #1153Lauri HimanenLauri Himanen