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📝 DOCS: Updates for compatibility with AiiDA v2.5.1 #469

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merged 2 commits into from
Sep 12, 2024

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GeigerJ2
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@GeigerJ2 GeigerJ2 commented Feb 13, 2024

These minor changes fix issues and deprecation warnings that arose when going through the tutorial with the latest AiiDA v2.5.1. The modifications are mainly:

  • Update the verdi code setup to verdi code create commands
  • Update the SSSP version from 1.1 to 1.3 to reflect the change of default in aiida-pseudo
  • Prepend core in the DataFactory calls where applicable, as well as query.queryhelp -> query.as_dict() in the querying notebook

One could also update the outputs, for instance, to reflect the change from Info to Report for the verdi process commands, as well as adding the additional information on caching which is now shown to avoid confusion, though it's not really necessary for being able to work through the material.

I understand that this page was initially intended for the AiiDA courses, so it's good to have a frozen version for each edition of the course. Though, as we'd like to eventually integrate this material into the main documentation (see issue
aiidateam/aiida-core#6287), I think it's good to have it updated now.

Lastly, a few deprecation warnings remain, for example:

- aiida/cmdline/groups/dynamic.py:145: AiidaDeprecationWarning: Relying on `_get_cli_options` is deprecated. The options should be defined through a `pydantic.BaseModel` that should be assigned to the `Config` class attribute. (this will be removed in v3)
- aiida/orm/nodes/data/code/legacy.py:42: AiidaDeprecationWarning: The `Code` class is deprecated. To create an instance, use the `aiida.orm.nodes.data.code.installed.InstalledCode` or `aiida.orm.nodes.data.code.portable.PortableCode` for a "remote" or "local" code, respectively. If you are using this class to compare type, e.g. in `isinstance`, use `aiida.orm.nodes.data.code.abstract.AbstractCode`. (this will be removed in v3)
- aiida/orm/nodes/data/code/legacy.py:172: AiidaDeprecationWarning: `Code.get_description` method is deprecated, use the `description` property instead. (this will be removed in v3)

however, I think these have to be adressed in the src.

These minor changes fix issues and deprecation warnings that arose when going through the tutorial with the latest AiiDA v2.5.1. The modifications are mainly:
- Update the `verdi code setup` to `verdi code create` commands
- Update the SSSP version from 1.1 to 1.3 to reflect the change of default in `aiida-pseudo`
- Prepend `core` in the `DataFactory` calls where applicable, as well as `query.queryhelp` -> `query.as_dict()` in the `querying` notebook

One could also update the outputs, for instance, to reflect the change from `Info` to `Report` for the `verdi process` commands, as well as adding the additional information on caching which is now shown to avoid confusion, though it's not really necessary for being able to work through the material.

I understand that this page was initially intended for the AiiDA courses, so it's good to have a frozen version for each edition of the course. Though, as we'd like to eventually integrate this material into the main documentation (see issue #XXXX), I think it's good to have it updated now.

Lastly, a few deprecation warnings remain, for example:
```shell
- aiida/cmdline/groups/dynamic.py:145: AiidaDeprecationWarning: Relying on `_get_cli_options` is deprecated. The options should be defined through a `pydantic.BaseModel` that should be assigned to the `Config` class attribute. (this will be removed in v3)
- aiida/orm/nodes/data/code/legacy.py:42: AiidaDeprecationWarning: The `Code` class is deprecated. To create an instance, use the `aiida.orm.nodes.data.code.installed.InstalledCode` or `aiida.orm.nodes.data.code.portable.PortableCode` for a "remote" or "local" code, respectively. If you are using this class to compare type, e.g. in `isinstance`, use `aiida.orm.nodes.data.code.abstract.AbstractCode`. (this will be removed in v3)
- aiida/orm/nodes/data/code/legacy.py:172: AiidaDeprecationWarning: `Code.get_description` method is deprecated, use the `description` property instead. (this will be removed in v3)
```
however, I think these have to be adressed in the `src`.
@agoscinski
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Could you rebase?

@GeigerJ2
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Could you rebase?

Best I can do is merge commit 😅 Should I squash and merge?

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Just wanted to see it in the RTD docs preview, and see if the CI passes. Looks fine for me. The verdi commands seem also still valid for 2.6. You can squash and merge!

Wow the commit message is insanely long. Maybe you want to shorten it a bit, but your call.

@GeigerJ2 GeigerJ2 merged commit a028290 into aiidateam:main Sep 12, 2024
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@GeigerJ2
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Wow the commit message is insanely long. Maybe you want to shorten it a bit, but your call.

Commit essay has to be longer than the code changes :D I shortened it, just listing the actual changes, not my other rambling.

@GeigerJ2 GeigerJ2 deleted the fix/update_docs branch September 12, 2024 10:13
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2 participants