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gromacs: make it possible to disable single precision as build target.#3501

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Micket merged 2 commits intoeasybuilders:developfrom
akesandgren:20241107124117_new_pr_gromacs
Nov 13, 2024
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gromacs: make it possible to disable single precision as build target.#3501
Micket merged 2 commits intoeasybuilders:developfrom
akesandgren:20241107124117_new_pr_gromacs

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@akesandgren akesandgren commented Nov 7, 2024

(created using eb --new-pr)

This is required to be able to build GROMACS-LS 2016.3 which is double precision only,
and this feature should have been there from the beginning.

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Test report by @akesandgren

Overview of tested easyconfigs (in order)

  • SUCCESS MDStress-20191228-gfbf-2023a.eb
  • SUCCESS GROMACS-LS-2016.3-foss-2023a.eb

Build succeeded for 2 out of 2 (1 easyconfigs in total)
b-an02.hpc2n.umu.se - Linux Ubuntu 20.04, x86_64, Intel(R) Xeon(R) CPU E5-2690 v4 @ 2.60GHz, Python 3.8.10
See https://gist.github.com/akesandgren/5d160f0919f34a8c5565f918cb00edfa for a full test report.

Comment thread easybuild/easyblocks/g/gromacs.py Outdated
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lgtm since åke insist on being lazy

Comment thread easybuild/easyblocks/g/gromacs.py Outdated
Comment thread easybuild/easyblocks/g/gromacs.py Outdated
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lgtm

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Micket commented Nov 13, 2024

Another test report since I don't have the easyconfig in question please

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Another test report since I don't have the easyconfig in question please

easybuilders/easybuild-easyconfigs#21800

@Micket Micket merged commit 57c0eae into easybuilders:develop Nov 13, 2024
@akesandgren akesandgren deleted the 20241107124117_new_pr_gromacs branch November 13, 2024 11:42
@boegel boegel added this to the 5.0.0 milestone Mar 18, 2025
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3 participants