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Remove X11 flag for GROMACS 2023+#3466

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Micket merged 1 commit intoeasybuilders:developfrom
Flamefire:gromacs-x11
Oct 3, 2024
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Remove X11 flag for GROMACS 2023+#3466
Micket merged 1 commit intoeasybuilders:developfrom
Flamefire:gromacs-x11

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@Flamefire Flamefire commented Oct 2, 2024

The support for gmx view was removed in version 2023 so X11 is no longer a (optional) dependency.
Don't pass the flag to avoid warnings from CMake about unused params.

I.e.:

CMake Warning:
  Manually-specified variables were not used by the project:

    GMX_X11

@Flamefire
Remove X11 flag fro GROMACS 2023+
2e60f84 
The support for `gmx view` was removed in version 2023 so X11 is no
longer a (optional) dependency.
Don't pass the flag to avoid warnings from CMake about unused params.
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Flamefire commented Oct 2, 2024

Test report by @Flamefire

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2023.3-foss-2023a.eb
  • SUCCESS GROMACS-2024.1-foss-2023b.eb
  • SUCCESS scikit-build-0.11.1-GCCcore-10.3.0.eb
  • SUCCESS CMake-3.22.1-GCCcore-11.2.0.eb
  • SUCCESS scikit-build-0.11.1-foss-2020b.eb
  • SUCCESS scikit-build-0.15.0-GCCcore-11.3.0.eb
  • SUCCESS GROMACS-2023.1-foss-2022a.eb
  • SUCCESS GROMACS-2023.3-foss-2022a.eb
  • SUCCESS networkx-2.5.1-foss-2021a.eb
  • SUCCESS scikit-build-0.11.1-GCCcore-11.2.0.eb
  • SUCCESS networkx-2.5-foss-2020b.eb
  • SUCCESS GROMACS-2021.3-foss-2021a.eb
  • SUCCESS GROMACS-2021-foss-2020b.eb
  • SUCCESS networkx-2.6.3-foss-2021b.eb
  • SUCCESS GROMACS-2021.5-foss-2021b.eb

Build succeeded for 15 out of 15 (7 easyconfigs in total)
i7107 - Linux Rocky Linux 8.9 (Green Obsidian), x86_64, AMD EPYC 7702 64-Core Processor (zen2), Python 3.8.17
See https://gist.github.com/Flamefire/d7e763b2a86aa9dfbdfb2e5325e4ffc8 for a full test report.

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Micket approved these changes Oct 2, 2024
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lgtm

@Micket Micket added the bug fix label Oct 2, 2024
@Micket Micket added this to the release after 4.9.4 milestone Oct 2, 2024
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Micket commented Oct 2, 2024

Test report by @Micket

Overview of tested easyconfigs (in order)

  • SUCCESS scikit-build-core-0.9.3-GCCcore-13.2.0.eb
  • SUCCESS GROMACS-2024.1-foss-2023b.eb

Build succeeded for 2 out of 2 (1 easyconfigs in total)
alvis-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/6cba8b67817435dc25fa41ce01961572 for a full test report.

@Micket Micket merged commit 1f61ad7 into easybuilders:develop Oct 3, 2024
@Flamefire Flamefire deleted the gromacs-x11 branch October 3, 2024 10:02
@boegel boegel changed the title Remove X11 flag fro GROMACS 2023+ Remove X11 flag for GROMACS 2023+ Oct 9, 2024
@boegel boegel modified the milestones: release after 4.9.4, 5.0.0 Mar 18, 2025
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