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Removed FoX constraint on GIPAW for QuantumESPRESSO easyblock #3258

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merged 1 commit into from Mar 21, 2024

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Crivella
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@Crivella Crivella commented Mar 20, 2024

Removing the requirement of compiling FoX in order to use GIPAW with QuantumESPRESSO >=7.2.

FoX has been made optional in QE from v7.2 (before 7.2 FoX is always compiled) and, as indicated in this commit, FoX has been removed as a dependency of GIPAW.

Tested by running one of the GIPAW examples with v7.2 intel/foss and 7.3 intel/foss from easyconfig PR #20070

@Micket Micket added the bug fix label Mar 20, 2024
@Micket Micket added this to the release after 4.9.0 milestone Mar 20, 2024
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lgtm

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Micket commented Mar 20, 2024

I assume you rebuild the QEs but without with_fox = True? The easyconfigs still make the claim that it's required for GIPAW, so that also needs fixing (at least removing the comment)

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Crivella commented Mar 20, 2024

Yes, i tried manually first and with an EB compiled version to run the example (without FoX).

I've already edited the configs in my other PR (used in the test) and i think Alan will edit the 7.2 one in his (i edited the files to remove the with_fox for testing).

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ocaisa commented Mar 21, 2024

The builds in easybuilders/easybuild-easyconfigs#20105 are passing just fine (the intel one needs a small tweak for a failing test, but this is not relevant to this PR)

@ocaisa ocaisa merged commit 99173c4 into easybuilders:develop Mar 21, 2024
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@Crivella Crivella deleted the feature-qe-autoconf branch March 21, 2024 09:36
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Micket commented Mar 21, 2024

Test report by @Micket

Overview of tested easyconfigs (in order)

  • SUCCESS QuantumESPRESSO-7.2-foss-2023a.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
vera-skylake-build - Linux Rocky Linux 8.9, x86_64, Intel Xeon Processor (Skylake, IBRS, no TSX), Python 3.6.8
See https://gist.github.com/Micket/2d057d3b88c071e0c03d310fb85156d3 for a full test report.

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Micket commented Mar 21, 2024

I did successfully build without with_fox as a test, but i must have forgotten to upload test report. Anyway, it worked, so i'm happy with this change.
edit: No my browser window was just cached, i didn't see i did successfully upload the report and this was already merged. Sorry for the noise.

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3 participants