nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2022-03-15T09:50:39Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/587Add async interface2022-03-15T09:50:39ZTheodore ChangAdd async interfaceCloses #763
Add async interface that can be directly used in an async environment.Closes #763
Add async interface that can be directly used in an async environment.Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1217Added cli command for creating .env file for local development, added the...2023-04-19T07:14:47ZLauri HimanenAdded cli command for creating .env file for local development, added the...Added cli command for creating .env file for local development, added the creation of that file in setup_dev_env.sh.
Closes #1426Added cli command for creating .env file for local development, added the creation of that file in setup_dev_env.sh.
Closes #1426Lauri HimanenLauri Himanenhttps://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/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/436Added nexus parser2021-11-26T09:47:52ZSandor BrockhauserAdded nexus parserhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/485adding nexus parser2022-01-27T13:07:56ZSandor Brockhauseradding nexus parser- nexus metainfo and parser as a submodule from github repo
- handling submodules recursively to support nexus definitions inside nexusparser
Closes #672- nexus metainfo and parser as a submodule from github repo
- handling submodules recursively to support nexus definitions inside nexusparser
Closes #672https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/437Adding support for automatic fixing of bad entry ids2021-10-29T07:59:09ZDavid SikterAdding support for automatic fixing of bad entry idsAdded checks that the entry's id matches the generated one (by examining the prod DB, I found two entries where this has happened). If amismatch is found, specifying --fix-problems will replace the id with the correct one during the conv...Added checks that the entry's id matches the generated one (by examining the prod DB, I found two entries where this has happened). If amismatch is found, specifying --fix-problems will replace the id with the correct one during the conversion.
Also fixed a typo and improved doc.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1054Allow to pass query for the post request entries/entryId/archive/query2023-01-25T13:23:29ZMohammad NakhaeeAllow to pass query for the post request entries/entryId/archive/queryCloses #1284Closes #1284Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1606autoformatter2023-12-20T17:46:11ZAhmed Ilyasautoformatterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/130Bs dos2020-07-10T07:07:55ZMarkus ScheidgenBs doshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/118Bugfixes2020-06-09T08:36:26ZMarkus ScheidgenBugfixeshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/682Bugfix: track retry number2022-05-20T14:44:47ZTheodore ChangBugfix: track retry numberCloses #852Closes #852Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/425Changing Calc.external_id to a list and rename it to external_ids2021-10-20T06:52:28ZDavid SikterChanging Calc.external_id to a list and rename it to external_idsAllows the user to store multiple external ids for the same entry by turning it into a list, rather than a single string.Allows the user to store multiple external ids for the same entry by turning it into a list, rather than a single string.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1278Correct usage2023-05-15T00:18:01ZTheodore ChangCorrect usageTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1041Debug: version attribute takes string as it should be.2023-02-06T18:03:11ZRubel MozumderDebug: version attribute takes string as it should be.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/176Dos notebooks2020-09-17T12:04:01ZCuauhtemoc Salazartemok@physik.hu-berlin.deDos notebooksAdded a Jupyter notebook to compare DOS output for different DFT codes. The DOS output is fetched from NOMAD's Archive & Repository.Added a Jupyter notebook to compare DOS output for different DFT codes. The DOS output is fetched from NOMAD's Archive & Repository.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/784Draft: 820 nomad link (alternative implementation using asyncio)2022-10-19T14:22:57ZDaniel LehmbergDraft: 820 nomad link (alternative implementation using asyncio)Alternative implementation to !727
Here I add an asyncio task during the startup of the FastAPI (note: as of my knowledge it is mandatory to attach this to the main `app`, not to mounted ones).
#### Aspects:
* this solution sends the...Alternative implementation to !727
Here I add an asyncio task during the startup of the FastAPI (note: as of my knowledge it is mandatory to attach this to the main `app`, not to mounted ones).
#### Aspects:
* this solution sends the telemetry data at fixed intervals (for the middleware we need an API interaction to actually send again)
* ~~this requires a new package `fastapi_utils` with the `repeat_task` decorator~~ -- I implemented my own mechanism using only native functionality (from asyncio). So in the current implementation there is no py-package dependency (except the nest_asyncio within for testing coroutines)
See https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/727#note_140922 on what we agreed to collect and submit log entries.Daniel LehmbergDaniel Lehmberghttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/769Draft: Added MatID as a submodule, added GUI tools for visualizing topologies...2022-08-08T11:47:47ZThea DenellDraft: Added MatID as a submodule, added GUI tools for visualizing topologies, added...Added MatID as a submodule, added GUI tools for visualizing topologies, added stub method for creating the topology.
Closes #855Added MatID as a submodule, added GUI tools for visualizing topologies, added stub method for creating the topology.
Closes #855Thea DenellThea Denellhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/925Draft: Added possibility to add new widgets, started adding edit dialog valia...2022-11-04T14:04:47ZMohammad NakhaeeDraft: Added possibility to add new widgets, started adding edit dialog valiation,...Added possibility to add new widgets, started adding edit dialog valiation, fixed issue with D3 plot ids.
Related #961Added possibility to add new widgets, started adding edit dialog valiation, fixed issue with D3 plot ids.
Related #961Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/466Draft: Adding the nexusparser2021-12-14T07:59:10ZMarkus ScheidgenDraft: Adding the nexusparser