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Make GROMACS easyblock work with --module-only #2414

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Merged
merged 7 commits into from
May 12, 2021
Merged

Make GROMACS easyblock work with --module-only #2414

merged 7 commits into from
May 12, 2021

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ocaisa
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@ocaisa ocaisa commented May 10, 2021 •
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Fixes #2399

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ocaisa commented May 10, 2021

Test report by @ocaisa

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2020.4-foss-2020a-Python-3.8.2.eb
  • SUCCESS scikit-build-0.11.1-foss-2020b.eb
  • SUCCESS networkx-2.5-foss-2020b.eb
  • SUCCESS GROMACS-2021-foss-2020b.eb

Build succeeded for 4 out of 4 (2 easyconfigs in total)
generoso - Linux centos linux 8.2.2004, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz, Python 3.6.8
See https://gist.github.com/191f4890066046004b0a8ec2b179a8f6 for a full test report.

@ocaisa ocaisa added bug fix EESSI Related to EESSI project labels May 10, 2021
@boegel boegel added this to the next release (4.3.5?) milestone May 10, 2021
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boegel approved these changes May 12, 2021
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lgtm

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boegel commented May 12, 2021 •
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Test report by @boegel (--module-only)

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2019.3-foss-2019b.eb
  • SUCCESS GROMACS-2019.4-foss-2019b.eb
  • SUCCESS GROMACS-2020.1-foss-2020a-Python-3.8.2.eb
  • SUCCESS GROMACS-2020.4-foss-2020a-Python-3.8.2.eb
  • SUCCESS GROMACS-2020-foss-2019b.eb
  • SUCCESS GROMACS-2021-foss-2020b.eb

Build succeeded for 6 out of 6 (6 easyconfigs in total)
node2601.swalot.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2660 v3 @ 2.60GHz (haswell), Python 3.6.8
See https://gist.github.com/4784fae2307c56ff4cde1ef25588c7e6 for a full test report.

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boegel commented May 12, 2021 •
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Test report by @boegel (--module-only --force)

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2021-foss-2020b.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
node2601.swalot.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2660 v3 @ 2.60GHz (haswell), Python 3.6.8
See https://gist.github.com/5b379785646d7654259d3edc23043920 for a full test report.

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boegel commented May 12, 2021 •
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Test report by @boegel (--force reinstall)

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2019.3-foss-2019b.eb
  • SUCCESS GROMACS-2019.4-foss-2019b.eb
  • SUCCESS GROMACS-2020-foss-2019b.eb

Build succeeded for 3 out of 3 (3 easyconfigs in total)
node3153.skitty.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz, Python 3.6.8
See https://gist.github.com/ee9b9385cd9a10638e5f84922ec68921 for a full test report.

@boegel boegel merged commit 03b80da into easybuilders:develop May 12, 2021
@ocaisa ocaisa deleted the gromacs_module_only branch May 12, 2021 15:39
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boegel commented May 12, 2021

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2019.2-fosscuda-2019a.eb
  • SUCCESS GROMACS-2020.5-fosscuda-2020a-Python-3.8.2.eb
  • SUCCESS GROMACS-2020-fosscuda-2019b.eb
  • SUCCESS GROMACS-2021-fosscuda-2020b.eb

Build succeeded for 4 out of 4 (4 easyconfigs in total)
node3304.joltik.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), Python 3.6.8
See https://gist.github.com/00a4dd5bc227c908e14ce42c0eb687f2 for a full test report.

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GROMACS easyblock does not work with --module-only
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