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adopt module_load_environment in custom easyblock for TINKER#3625

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lexming merged 2 commits intoeasybuilders:5.0.xfrom
boegel:20250219201918_new_pr_tinker
Feb 20, 2025
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adopt module_load_environment in custom easyblock for TINKER#3625
lexming merged 2 commits intoeasybuilders:5.0.xfrom
boegel:20250219201918_new_pr_tinker

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@boegel boegel commented Feb 19, 2025

(created using eb --new-pr)

@boegel boegel changed the base branch from develop to 5.0.x February 19, 2025 19:20
@boegel boegel force-pushed the 20250219201918_new_pr_tinker branch from 10e2e63 to f3a2042 Compare February 19, 2025 19:21
@boegel boegel added change EasyBuild-5.0 EasyBuild 5.0 labels Feb 19, 2025
@boegel boegel added this to the 5.0 milestone Feb 19, 2025
@boegel boegel requested a review from lexming February 19, 2025 19:21
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boegel commented Feb 19, 2025

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS TINKER-8.11.3-foss-2023a.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3515.doduo.os - Linux RHEL 8.8, x86_64, AMD EPYC 7552 48-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/boegel/8fa2105ddd1e6340b779c966bb4b3fd4 for a full test report.

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My installation of TINKER does not have any tinker subdir:

TINKER/8.11.3-foss-2023a/
├── bin
├── easybuild
├── lib -> lib64
├── lib64
├── params
├── perl
└── python

This might be a relic of the past? I see that it was the case in TINKER/8.6.1-foss-2018b.

So replacing the default $PATH and $LD_LIBRARY_PATH will break things with current version. If you want to keep backward compatibility we can PATH.append() those paths.

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boegel commented Feb 20, 2025

My installation of TINKER does not have any tinker subdir:

TINKER/8.11.3-foss-2023a/
├── bin
├── easybuild
├── lib -> lib64
├── lib64
├── params
├── perl
└── python

This might be a relic of the past? I see that it was the case in TINKER/8.6.1-foss-2018b.

So replacing the default $PATH and $LD_LIBRARY_PATH will break things with current version. If you want to keep backward compatibility we can PATH.append() those paths.

fixed in 0a1b016

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boegel commented Feb 20, 2025

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS TINKER-8.11.3-foss-2023a.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3515.doduo.os - Linux RHEL 8.8, x86_64, AMD EPYC 7552 48-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/boegel/aa611036f89129ef57806d3f1edfc569 for a full test report.

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LGTM

@lexming lexming merged commit 2e7e571 into easybuilders:5.0.x Feb 20, 2025
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