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use ${BLAS,LAPACK}_SHARED_LIBS in GROMACS easyblock for FlexiBLAS-based toolchains #2552

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Micket merged 1 commit into from
Aug 20, 2021
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use ${BLAS,LAPACK}_SHARED_LIBS in GROMACS easyblock for FlexiBLAS-based toolchains #2552

Micket merged 1 commit into from
Aug 20, 2021

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@boegel boegel commented Aug 19, 2021 •
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(created using eb --new-pr)
requires easybuilders/easybuild-framework#3800

fixes #2521

@boegel boegel changed the title use ${BLAS,LAPACK}_SHARED_LIBS in GROMACS easyblock for FlexiBLAS-based toolchains (fixes 2521) use ${BLAS,LAPACK}_SHARED_LIBS in GROMACS easyblock for FlexiBLAS-based toolchains Aug 19, 2021
@boegel boegel force-pushed the 20210819161151_new_pr_vdDfYBPfYI branch from ad77548 to 457d66d Compare August 19, 2021 15:08
@boegel boegel added the bug fix label Aug 19, 2021
@boegel boegel added this to the next release (4.4.2?) milestone Aug 19, 2021
This was referenced Aug 19, 2021
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lgtm

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lgtm

@Micket Micket merged commit 5bec4f8 into easybuilders:develop Aug 20, 2021
@boegel boegel deleted the 20210819161151_new_pr_vdDfYBPfYI branch August 20, 2021 14:39
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boegel commented Aug 20, 2021

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2021-foss-2020b.eb
  • SUCCESS GROMACS-2019.3-foss-2019b.eb
  • SUCCESS GROMACS-2018-foss-2018a.eb
  • SUCCESS GROMACS-2016.5-intel-2018a.eb

Build succeeded for 4 out of 4 (4 easyconfigs in total)
node3409.kirlia.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz (cascadelake), Python 3.6.8
See https://gist.github.com/3935014261f3f8295c8fcbfecec6a0bf for a full test report.

@branfosj branfosj mentioned this pull request Jun 28, 2023
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4.4.2

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Successfully merging this pull request may close these issues.

existence of static BLAS and LAPACK libraries is assumed in GROMACS easyblock, which is not the case for FlexiBLAS

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