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add missing patches for AmberTools 21 with foss/2021a toolchain + enable running tests#16151

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branfosj merged 4 commits intoeasybuilders:developfrom
akesandgren:20220829131548_new_pr_AmberTools21
Sep 2, 2022
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add missing patches for AmberTools 21 with foss/2021a toolchain + enable running tests#16151
branfosj merged 4 commits intoeasybuilders:developfrom
akesandgren:20220829131548_new_pr_AmberTools21

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@akesandgren akesandgren commented Aug 29, 2022 •
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(created using eb --new-pr)

Depends on easybuilders/easybuild-easyblocks#2781

@akesandgren akesandgren changed the title fix top level Makefile for AmberTools 21 fix top level Makefile for AmberTools 21 for foss Aug 29, 2022
@akesandgren akesandgren added this to the 4.x milestone Aug 29, 2022
@easybuilders easybuilders deleted a comment from boegelbot Aug 30, 2022
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akesandgren commented Aug 30, 2022

@boegelbot Please test @ generoso

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boegelbot commented Aug 30, 2022

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

PR test command 'EB_PR=16151 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16151 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 9089

Test results coming soon (I hope)...

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- notification for comment with ID 1231644307 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).

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boegelbot commented Aug 30, 2022

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/6f8dcf968d3b893e2c8c45455ac322af for a full test report.

branfosj
branfosj requested changes Sep 1, 2022
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Comment thread easybuild/easyconfigs/a/AmberTools/AmberTools-21-foss-2021a.eb
Comment thread easybuild/easyconfigs/a/AmberTools/AmberTools-21-foss-2021a.eb
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akesandgren commented Sep 1, 2022

@boegelbot Please test @ jsc-zen2

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boegelbot commented Sep 1, 2022

@akesandgren: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=16151 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16151 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 1611

Test results coming soon (I hope)...

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- notification for comment with ID 1234013375 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).

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branfosj commented Sep 1, 2022

Test report by @branfosj
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
bear-pg0105u36b.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/76dfd029c111cacc031afd728934567f for a full test report.

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branfosj approved these changes Sep 1, 2022
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lgtm

@akesandgren akesandgren changed the title fix top level Makefile for AmberTools 21 for foss update AmberTools 21 for foss with EasyBuild set of patches for AT 21.12 Sep 1, 2022
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boegelbot commented Sep 1, 2022

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen2c1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/2860288c433719e345d03094fecd4aa3 for a full test report.

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branfosj commented Sep 2, 2022

Going in, thanks @akesandgren!

@branfosj branfosj merged commit f343a6e into easybuilders:develop Sep 2, 2022
@boegel boegel changed the title update AmberTools 21 for foss with EasyBuild set of patches for AT 21.12 add missing patches for AmberTools 21 with foss/2021a toolchain + enable running tests Sep 10, 2022
@akesandgren akesandgren deleted the 20220829131548_new_pr_AmberTools21 branch September 12, 2022 10:55
@zemu-csi zemu-csi mentioned this pull request Sep 30, 2022
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