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Update aiida-core to 2.6.2 #474

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merged 1 commit into from
Aug 8, 2024
Merged

Update aiida-core to 2.6.2 #474

merged 1 commit into from
Aug 8, 2024

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danielhollas
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@danielhollas danielhollas commented Jul 2, 2024

Looks like we're good to go here. I've launched tests for AWB in aiidalab/aiidalab-widgets-base#616 and for QeApp in aiidalab/aiidalab-qe#760 and they all passed.

Once we update, I think we can enable caching by default, per #407.

@danielhollas danielhollas marked this pull request as draft July 2, 2024 10:37
@danielhollas danielhollas marked this pull request as ready for review July 2, 2024 14:55
@danielhollas danielhollas enabled auto-merge (squash) July 4, 2024 23:12
@danielhollas danielhollas disabled auto-merge July 4, 2024 23:12
@danielhollas danielhollas enabled auto-merge (squash) July 4, 2024 23:13
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unkcpz commented Jul 8, 2024

I think @sphuber will firing another patch release? Let's wait a bit for that.

I think we can enable caching by default

Let's hold a bit on this. For PH calculation and bands calculation, we are definitely not ready to move forward on this. But I think we need to start testing on it more, to make the problem more exposed. If you are interested, please have a look at the AEP (aiidateam/AEP#35) and the initial discussion (aiidateam/aiida-core#5178).

I had some workarounds with changing the workchain logic to catch the remote data clean up issue to rerun the parent calcualtion, but far from perfect. I'll update the AEP and make a slide to try to describe the problem more clear.

@danielhollas danielhollas disabled auto-merge July 9, 2024 21:47
@danielhollas danielhollas changed the title Update aiida-core to 2.6.1 Update aiida-core to 2.6.2 Aug 7, 2024
@danielhollas
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I think sphuber will firing another patch release? Let's wait a bit for that.

Aiida 2.6.2 has been released today. 🎉 This should be ready to go.

The new latest image release needs to wait until aiidalab/aiidalab#442 is fixed, I'm hoping to get that done this week so I can deploy the new image on our server.

@unkcpz @superstar54 LMK if you're generally available for reviews or if I should be reaching out to somebody else in the meantime.

@danielhollas danielhollas enabled auto-merge (squash) August 7, 2024 19:56
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Thanks @danielhollas, I think it is ready to go.

@danielhollas danielhollas merged commit 4b5e560 into main Aug 8, 2024
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@unkcpz unkcpz deleted the aiida-2.6.1 branch August 8, 2024 08:44
@edan-bainglass
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@danielhollas @unkcpz I'm unable to install aiida-core>2.5.1 on aiidalab-fullstack containers.

(base) (master) aiidalab-widgets-base > pip install aiida-core~=2.6
ERROR: Cannot install aiida-core~=2.6 because these package versions have conflicting dependencies.

The conflict is caused by:
    The user requested aiida-core~=2.6
    The user requested (constraint) aiida-core==2.5.1

To fix this you could try to:
1. loosen the range of package versions you've specified
2. remove package versions to allow pip attempt to solve the dependency conflict

ERROR: ResolutionImpossible: for help visit https://pip.pypa.io/en/latest/topics/dependency-resolution/#dealing-with-dependency-conflicts

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unkcpz commented Aug 12, 2024

Since we had pinned the aiida-core version in the container. If you gonna to use 2.6.1 you need to update the image.

@edan-bainglass
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I suspected as much and pulled the new version. Same issue 😭

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unkcpz commented Aug 12, 2024

Please try pull full-stack:edge, we not yet release the image.

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3 participants