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{chem}[intel/2020a] OpenForceField v0.7.0, AmberMini v16.16.0, ParmEd v3.2.0 w/ Python 3.8.2#11048

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boegel merged 3 commits intoeasybuilders:developfrom
Darkless012:20200731155128_new_pr_OpenForceField070
Aug 19, 2020
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{chem}[intel/2020a] OpenForceField v0.7.0, AmberMini v16.16.0, ParmEd v3.2.0 w/ Python 3.8.2#11048
boegel merged 3 commits intoeasybuilders:developfrom
Darkless012:20200731155128_new_pr_OpenForceField070

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@Darkless012 Darkless012 commented Jul 31, 2020 •
edited by boegel
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(created using eb --new-pr)
requires: #11045 (OpenMM), #11046 (OpenMMTools)

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adding easyconfigs: OpenForceField-0.7.0-intel-2020a-Python-3.8.2.eb,…
714f826 
… AmberMini-16.16.0-intel-2020a.eb, ParmEd-3.2.0-intel-2020a-Python-3.8.2.eb
@boegel boegel added this to the 4.x milestone Aug 18, 2020
@easybuilders easybuilders deleted a comment from boegelbot Aug 18, 2020
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boegel commented Aug 18, 2020

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in this PR)
node3411.kirlia.os - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz (cascadelake), Python 2.7.5
See https://gist.github.com/d286e1bd41f4a0cd7ba1525ae65a7f06 for a full test report.

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boegel commented Aug 18, 2020

@boegelbot please test @ generoso

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boegelbot commented Aug 18, 2020

@boegel: Request for testing this PR well received on generoso

PR test command 'EB_PR=11048 EB_ARGS= /apps/slurm/default/bin/sbatch --job-name test_PR_11048 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5063

Test results coming soon (I hope)...

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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).

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boegel approved these changes Aug 18, 2020
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lgtm

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boegel commented Aug 18, 2020

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in this PR)
node3138.skitty.os - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/6af7b5c7f2014a388804ea4d0df7b608 for a full test report.

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boegel commented Aug 18, 2020

Test report by @boegel
SUCCESS
Build succeeded for 5 out of 5 (3 easyconfigs in this PR)
node2403.golett.os - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz (haswell), Python 2.7.5
See https://gist.github.com/cbed0f76dc1eb92b7d937048014dd132 for a full test report.

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boegelbot commented Aug 19, 2020

Test report by @boegelbot
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in this PR)
generoso - Linux centos linux 8.2.2004, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/9fb84c267a771d3c347e235e7578022e for a full test report.

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boegel commented Aug 19, 2020

Going in, thanks @Darkless012!

@boegel boegel merged commit 6edad16 into easybuilders:develop Aug 19, 2020
@boegel boegel modified the milestones: 4.x, next release (4.2.3?) Aug 19, 2020
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