aiidateam / aiida-tutorials

AiiDA tutorials web site
http://aiida-tutorials.readthedocs.org
20 stars 37 forks source link

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

Open GeigerJ2 opened 4 months ago

GeigerJ2 commented 4 months ago

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:

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.