{bio}[foss/2021a] GROMACS v2021.3 w/ Python 3.9.5 + CUDA 11.3.1 + PLUMED v2.7.2

[smoors]

(created using eb --new-pr)

depends on easyblock PR

• add option to ignore PLUMED version check for GROMACS easybuild-easyblocks#2621

[smoors]

@boegelbot please test @ generoso EB_ARGS="--include-easyblocks-from-pr 2621"

[boegelbot]

@smoors: Request for testing this PR well received on login1

PR test command 'EB_PR=14409 EB_ARGS="--include-easyblocks-from-pr 2621" /opt/software/slurm/bin/sbatch --job-name test_PR_14409 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 7314

Test results coming soon (I hope)...

- notification for comment with ID 976798890 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

[smoors]

Test report by @smoors
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2621
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node400.hydra.os - Linux centos linux 7.9.2009, x86_64, AMD EPYC 7282 16-Core Processor (zen2), 2 x NVIDIA A100-PCIE-40GB, 460.73.01, Python 2.7.5
See https://gist.github.com/5a972259194b0a442397eda31ceff576 for a full test report.

[boegelbot]

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2621
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns1 - Linux rocky linux 8.4, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/0c0701d29241972ea817237f80eb71cf for a full test report.

[boegel]

Test report by @boegel
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2621
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3152.skitty.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/c86a297609912711f95eea4e8bc20c23 for a full test report.

[boegel]

Test report by @boegel
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2621
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3302.joltik.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), 4 x NVIDIA NVIDIA Tesla V100-SXM2-32GB, 465.19.01, Python 3.6.8
See https://gist.github.com/d09896962dafaff4d0f943eb047c246a for a full test report.

[boegel]

lgtm

[boegel]

Going in, thanks @smoors!