{2023.06}[2023a] AITW-stiffness v1.0.0, AITW-microstructures v1.0.0, AITW-viscosity v1.0.0 #1379
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lorisercole
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Feb 10, 2026
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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This PR will add the following (tested on a clean
EESSI-extendrun):5 out of 215 required modules missing:
NOTE
AITW-viscosityhas a soft dependency on #1332.Since 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)