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{chem}[foss/2021a] PySCF v1.7.6, libcint v4.4.0 w/ Python 3.9.5, XCFun v2.1.1#13214

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verdurin merged 3 commits intoeasybuilders:developfrom
Micket:20210618204251_new_pr_PySCF176
Jun 22, 2021
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{chem}[foss/2021a] PySCF v1.7.6, libcint v4.4.0 w/ Python 3.9.5, XCFun v2.1.1#13214
verdurin merged 3 commits intoeasybuilders:developfrom
Micket:20210618204251_new_pr_PySCF176

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@Micket Micket commented Jun 18, 2021

(created using eb --new-pr)

@Micket Micket added the update label Jun 18, 2021
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Micket commented Jun 18, 2021

Test report by @Micket
SUCCESS
Build succeeded for 9 out of 9 (2 easyconfigs in total)
alvis-c1 - Linux centos linux 7.9.2009, x86_64, Intel Xeon Processor (Skylake), Python 3.6.8
See https://gist.github.com/66647c8fcf36a21826c469416bf4e77c for a full test report.

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boegel previously requested changes Jun 19, 2021
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@Micket easyconfig for XCFun/2.1.1-foss-2021a is missing?

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@Micket Micket changed the title {chem}[foss/2021a] PySCF v1.7.6, libcint v4.4.0 w/ Python 3.9.5 {chem}[foss/2021a] PySCF v1.7.6, libcint v4.4.0 w/ Python 3.9.5, XCFun v2.1.1 Jun 21, 2021
@Micket Micket added this to the 4.x milestone Jun 21, 2021
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Micket commented Jun 21, 2021

Test report by @Micket
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
alvis-c1 - Linux centos linux 7.9.2009, x86_64, Intel Xeon Processor (Skylake), Python 3.6.8
See https://gist.github.com/20c7a0156665cc8e35139ce9c8754a95 for a full test report.

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SebastianAchilles commented Jun 22, 2021

Test report by @SebastianAchilles
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
rocky8-eb - Linux rocky linux 8.4, x86_64, Intel(R) Core(TM) i7-6900K CPU @ 3.20GHz (broadwell), Python 3.6.8
See https://gist.github.com/221dcc3aaff326092acf1d1dd5833ef0 for a full test report.

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SebastianAchilles commented Jun 22, 2021

Test report by @SebastianAchilles
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
centos8-eb - Linux centos linux 8.3.2011, x86_64, Intel(R) Core(TM) i7-8700 CPU @ 3.20GHz (skylake), Python 3.6.8
See https://gist.github.com/aec0915e6aaaaa7282ce70a05082530f for a full test report.

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SebastianAchilles commented Jun 22, 2021

@boegelbot please test @ generoso

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boegelbot commented Jun 22, 2021

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

PR test command 'EB_PR=13214 EB_ARGS= /apps/slurm/default/bin/sbatch --job-name test_PR_13214 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 17602

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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SebastianAchilles approved these changes Jun 22, 2021
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lgtm

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boegelbot commented Jun 22, 2021

Test report by @boegelbot
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
generoso-x-2 - 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/112214a0a23c1d4b746c925900ceb733 for a full test report.

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verdurin commented Jun 22, 2021

Test report by @verdurin
SUCCESS
Build succeeded for 6 out of 6 (3 easyconfigs in total)
easybuild-c7.novalocal - Linux centos linux 7.9.2009, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/955abd71baab0668e075c61b4c26334d for a full test report.

@verdurin verdurin modified the milestones: 4.x, next release (4.4.1) Jun 22, 2021
@verdurin verdurin dismissed boegel’s stale review June 22, 2021 18:39

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verdurin commented Jun 22, 2021

Going in, thanks @Micket!

@verdurin verdurin merged commit 98d7d86 into easybuilders:develop Jun 22, 2021
@Micket Micket deleted the 20210618204251_new_pr_PySCF176 branch April 21, 2023 12:50
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