nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-03-06T10:08:21Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1088Resolve "Tabular Parser: sub_sub_sections in row mode"2023-03-06T10:08:21ZAmir GolparvarResolve "Tabular Parser: sub_sub_sections in row mode"If multiple instances of a given a tabular-annotated Quantity in the excel sheet/csv file exists (meaning multiple columns with the same name exists in the excel sheet/csv file), then for each, a new section is supposed to be appended to...If multiple instances of a given a tabular-annotated Quantity in the excel sheet/csv file exists (meaning multiple columns with the same name exists in the excel sheet/csv file), then for each, a new section is supposed to be appended to the appropriate (repeating) subsection
Closes #1287Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1652Resolve "tabular parser should set the file name correctly"2024-01-30T09:20:49ZAmir GolparvarResolve "tabular parser should set the file name correctly"Closes #1871Closes #1871Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1223Resolve "Tabular parser: multiple instances of different classes do not work"2023-04-20T09:27:14ZAmir GolparvarResolve "Tabular parser: multiple instances of different classes do not work"Closes #1431Closes #1431Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1033Resolve "Tabular Parser - appending again parsed line when saving"2023-01-19T17:20:08ZAmir GolparvarResolve "Tabular Parser - appending again parsed line when saving"Updating any entry inheriting from tabular parser would cause the creation of duplicated subsections.
Closes #1277Updating any entry inheriting from tabular parser would cause the creation of duplicated subsections.
Closes #1277Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/968Resolve "TableData parser is not parsing Datetime when use in "row" mode"2022-12-01T10:15:04ZAndrea AlbinoResolve "TableData parser is not parsing Datetime when use in "row" mode"Closes #1203Closes #1203Andrea AlbinoAndrea Albinohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1027Resolve "System links and ASE atoms for results section"2023-01-18T13:36:04ZMarkus ScheidgenResolve "System links and ASE atoms for results section"The new `to_ase` function allows to conviniently generate an ASE Atoms object from a given section syst em based on the data in its `atoms` sub-section. Here is a simple example:
```python
from nomad.client import ArchiveQuery
query = ...The new `to_ase` function allows to conviniently generate an ASE Atoms object from a given section syst em based on the data in its `atoms` sub-section. Here is a simple example:
```python
from nomad.client import ArchiveQuery
query = ArchiveQuery(
required={
'run': {
'system[-1]': {
'atoms': '*'
}
}
})
result = query.download(1)[0]
atoms = result.run[0].system[-1].atoms.to_ase()
print(atoms.get_chemical_formula(mode='reduce'))
```
See also the discussion here: https://matsci.org/t/convert-query-result-directly-to-ase-atoms-objects/44513/7
#1074https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1052Resolve "Survey 3rd-party ELNs for integration"2023-04-04T13:21:46ZAmir GolparvarResolve "Survey 3rd-party ELNs for integration"Integrating ELNFileFormat into NOMAD
Related to #896Integrating ELNFileFormat into NOMAD
Related to #896Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/948Resolve "Survey 3rd-party ELNs for integration"2023-01-03T10:37:08ZAmir GolparvarResolve "Survey 3rd-party ELNs for integration"Related #896Related #896Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/766Resolve "Support names instead of indices in metainfo definition references"2022-08-16T09:08:46ZAmir GolparvarResolve "Support names instead of indices in metainfo definition references"Closes #925Closes #925Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/703Resolve "Support for inheriting sections"2022-07-07T10:23:28ZAmir GolparvarResolve "Support for inheriting sections"Closes #834Closes #834https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/604Resolve "Support creating new directories in the file browser"2022-03-23T09:13:50ZDavid SikterResolve "Support creating new directories in the file browser"Closes #771Closes #771David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/992Resolve "Support autocomplete dropdown and search dialog for reference edit q...2023-01-16T10:53:50ZMohammad NakhaeeResolve "Support autocomplete dropdown and search dialog for reference edit quantity"Closes #1225Closes #1225Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1353Resolve "Structure file download"2023-06-17T09:01:00ZLauri HimanenResolve "Structure file download"Closes #1534Closes #1534Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1292Resolve "Store RFC timestamp seed in mongodb"2023-05-23T15:06:49ZTheodore ChangResolve "Store RFC timestamp seed in mongodb"Closes #1497Closes #1497Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/679Resolves Timezones2022-05-23T07:40:11ZAmir GolparvarResolves Timezones
Closes #836
Closes #836https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/557Resolve "Statistics grid update"2022-02-04T11:04:45ZLauri HimanenResolve "Statistics grid update"Closes #734Closes #734Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1324Resolve "Staging deployment constantly breaks"2023-05-31T08:54:58ZMarkus ScheidgenResolve "Staging deployment constantly breaks"Closes #1522Closes #1522https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1507Resolve "Stable graph query result"2023-10-18T10:16:48ZTheodore ChangResolve "Stable graph query result"Closes #1739Closes #1739Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1656Resolve "Special group 'all'"2024-02-12T11:02:29ZSascha KlawohnResolve "Special group 'all'"- Make it possible to add 'all' to upload reviewer groups
- Raise error when adding 'all' to upload coauthor groups
- Adjust tests
- Add upload/entry with 'all' reviewer group to test data
- Test adding all to reviewer groups / coaut...- Make it possible to add 'all' to upload reviewer groups
- Raise error when adding 'all' to upload coauthor groups
- Adjust tests
- Add upload/entry with 'all' reviewer group to test data
- Test adding all to reviewer groups / coauthor groups (fails)
Closes #1868Sascha KlawohnSascha Klawohnhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/914Resolve "Sorting added columns in ELN Search entry fails"2022-10-31T10:38:13ZLauri HimanenResolve "Sorting added columns in ELN Search entry fails"Closes #1146Closes #1146Lauri HimanenLauri Himanen