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Deprecation: aiida.orm.nodes.data.upf and verdi data core.upf #6114

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merged 1 commit into from
Oct 11, 2023
Merged

Deprecation: aiida.orm.nodes.data.upf and verdi data core.upf #6114

merged 1 commit into from
Oct 11, 2023

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sphuber
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@sphuber sphuber commented Sep 5, 2023

The UpfData data plugin and related utilities have been replaced by the versions maintained in the aiida-pseudo plugin. The latter has now been significantly adopted by most users and plugin in the ecosystem, so the outdated original version in aiida-core can be deprecated and removed.

@sphuber sphuber requested a review from mbercx September 5, 2023 13:54
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sphuber commented Sep 8, 2023 •
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Any quarrel with this, respected co-maintainer of aiida-pseudo? @mbercx

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mbercx commented Sep 8, 2023

Any quarrel with this, respected co-maintainer of aiida-pseudo? @mbercx

Not at all! My one concern is that some users (e.g. @mkotiuga I believe) might want to use "custom" pseudos and currently these aren't trivial to install. Maybe we can still polish the user experience and documentation for non-SSSP/PseudoDojo users a bit before putting the deprecation in a release, and point users explicitly to some documentation (or wiki) on how to migrate to using aiida-pseudo.

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sphuber commented Sep 12, 2023

It would be great if we can get some more specific information on the limitations of aiida-pseudo. I have opened aiidateam/aiida-pseudo#160 to improve the docs a bit on how to install a custom family, but I think all use-cases should be supported. @mbercx @mkotiuga Do you have concrete examples of what doesn't work with aiida-pseudo?

@sphuber sphuber force-pushed the fix/deprecate-upf-module branch from 567d125 to 6bca132 Compare October 11, 2023 09:20
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Deprecation: aiida.orm.nodes.data.upf and verdi data core.upf
23ff70b 
The `UpfData` data plugin and related utilities have been replaced by
the versions maintained in the `aiida-pseudo` plugin. The latter has now
been significantly adopted by most users and plugin in the ecosystem, so
the outdated original version in `aiida-core` can be deprecated and
removed.
@sphuber sphuber force-pushed the fix/deprecate-upf-module branch from 6bca132 to 23ff70b Compare October 11, 2023 09:50
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sphuber commented Oct 11, 2023

I have updated the aiida-pseudo docs with even more information on how to replace the deprecated functionality. The deprecation warnings now simply link to that page in the documentation. This way we can continuously update it should the need arise

@sphuber sphuber merged commit 6625fd2 into aiidateam:main Oct 11, 2023
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@sphuber sphuber deleted the fix/deprecate-upf-module branch October 11, 2023 10:11
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