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update dependencies #23

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update dependencies #23

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khsrali
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@khsrali khsrali commented Aug 6, 2024

The repo is outdated with respect to aiida-core v2.6

I need this update to perform some performance test for aiida-firecrest

The main changes in this PR are as follows:

  • $\to$ aiida-core v2.6

    • orm.Group.objects.get $\to$ orm.Group.collection.get
    • orm.Group.objects.get_or_create $\to$ orm.Group.collection.get_or_create
  • $\to$ pydantic v2.8.2:

  • /examples/add_in_batches.py

    • added load_profile()
    • a condition to break the loop once everything is calculated.

@khsrali khsrali requested review from mbercx and t-reents August 6, 2024 09:08
@mbercx
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mbercx commented Aug 8, 2024

Thanks @khsrali! I had made similar changes locally, but still wanted to have a v1.X-compatible release before updating everything, but just never got around to it.

@khsrali
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khsrali commented Aug 9, 2024

Thanks @mbercx, connection on the glacier seems to be really good, ha.
why not just tag the current status and move one?
I mean, I don't see the point of releasing with outdated dependencies 😄

@t-reents
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t-reents commented Aug 9, 2024

@khsrali Indeed, this could be an option (as already discussed personally).

Btw, there is also the pydantic-v2 branch by @unkcpz. So based on the number of people who have already implemented these changes themselves, I agree that we should push to get this merged 😄

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mbercx commented Dec 4, 2024

Thanks again @khsrali! If you're ok with it, I'm going to split this PR up in 3 commits:

  1. Upgrade pydantic to ~=2.8 (I don't see a reason to be compatible with a patch version?)
  2. Upgrade aiida-core to ~=2.5 (I think only from this version aiida-core uses pydantic v2)
  3. Upgrade Python versions to 3.9 -> 3.13 (3.8 is EOL and 3.13 is released).

Note that if we merge this PR, anyone using aiida-core<2.5 will no longer be able to use the aiida-submission-controller because of the pydantic conflict. So I'd be inclined to still release a pydantic v1 version first.

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khsrali commented Dec 4, 2024

@mbercx all good, do whatever you think is convenient 👍

@mbercx mbercx force-pushed the main branch 3 times, most recently from 9aa909f to a564fe9 Compare December 10, 2024 11:33
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3 participants