{2023.06}[2023a] AITW-stiffness v1.0.0, AITW-microstructures v1.0.0, AITW-viscosity v1.0.0#1379
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ocaisa merged 6 commits intoEESSI:mainfrom Feb 12, 2026
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{2023.06}[2023a] AITW-stiffness v1.0.0, AITW-microstructures v1.0.0, AITW-viscosity v1.0.0#1379ocaisa merged 6 commits intoEESSI:mainfrom
ocaisa merged 6 commits intoEESSI:mainfrom
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easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml
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…23a.yml Co-authored-by: Loris Ercole <30901257+lorisercole@users.noreply.github.com>
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bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2 |
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bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen3 Edit: the bot didn't trigger at all here 🤨 |
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bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen3 |
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bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen4 |
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This is the status of all the
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This is the status of all the
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So in theory i forgot to add the EasyBlock from In practice the code will work fine without (the flag in the EC is just ignored), but when doing I think it is fine for the code to make it in without the auto-autocompletion and do a rebuild after as well |
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@Crivella just to clarify, do you mean include that easyblock in this PR? We're still in time to do that, the tarballs aren't deployed yet 👍 Let me know and I can repeat these builds if needed |
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@Neves-P Problem is that EB is touching both Will see if i can get the EB PR moving within this week, other-wise I think users can do without auto-tabcompletion until them |
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Ah, understood! That sounds like a plan, let's wait a few more days and see where things stand. If the easybuild PRs aren't merged by then we can deploy here and rebuild for EESSI when ready 👍 |
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Easyblocks PR is now merged, to be included with EasyBuild v5.2.1 release in next couple of days: |
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@boegel , since it's going in v5.2.1, I guess the "cleanest" way to address this is to reopen this PR with a new EasyBuild 5.2.1 yaml, right? |
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I've also added the |
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bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2 |
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This PR will add the following (tested on a clean
EESSI-extendrun):NOTE
AITW-viscosityhas a soft dependency onSince it implements an AiiDA workflows, it does not need the software required by the workflow to be available on the machine itself, but acpype + OpenBabel will need to be in EESSI for the entire workflow to be ran with EESSI-enabled software.
Also the software called by the workflow does not need to live on the same toolchain or even EESSI version (eg GROMACS on 2023a is too old for the feature required by the workchain, but the one from 2023b or even 2025.06 have been used/tested)