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update homepage and source urls of DFT-D3#17528

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casparvl merged 1 commit intoeasybuilders:developfrom
bedroge:dftd3_urls
Mar 15, 2023
Merged

update homepage and source urls of DFT-D3#17528
casparvl merged 1 commit intoeasybuilders:developfrom
bedroge:dftd3_urls

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@bedroge bedroge commented Mar 14, 2023

Both the homepage and source urls of the DFT-D3 easyconfigs didn't work for me, and it looks like they have been moved. This PR changes them for all existing easyconfigs.

@bedroge bedroge mentioned this pull request Mar 14, 2023
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casparvl commented Mar 14, 2023

@boegelbot please test @ generoso

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boegelbot commented Mar 14, 2023

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

PR test command 'EB_PR=17528 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_17528 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 10474

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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boegelbot commented Mar 14, 2023

Test report by @boegelbot
SUCCESS
Build succeeded for 4 out of 4 (4 easyconfigs in total)
cns2 - 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/7416e19b55bbb24c199deaa96409c75e for a full test report.

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casparvl commented Mar 14, 2023

@boegelbot please test @ jsc-zen2
EB_ARGS="--force-download"

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boegelbot commented Mar 14, 2023

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

PR test command 'EB_PR=17528 EB_ARGS="--force-download" /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_17528 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 2356

Test results coming soon (I hope)...

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- notification for comment with ID 1468822656 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 Mar 14, 2023

Test report by @boegelbot
FAILED
Build succeeded for 2 out of 12 (4 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/e266f19c5476cb3cc2ee615c01823cbe for a full test report.

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casparvl commented Mar 14, 2023

@boegelbot please test @ jsc-zen2
EB_ARGS="--force-download --accept-eula-for=Intel-oneAPI"

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boegelbot commented Mar 14, 2023

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

PR test command 'EB_PR=17528 EB_ARGS="--force-download --accept-eula-for=Intel-oneAPI" /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_17528 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 2360

Test results coming soon (I hope)...

Details

- notification for comment with ID 1468855508 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 Mar 14, 2023

Test report by @boegelbot
FAILED
Build succeeded for 2 out of 12 (4 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/012bbe8e753c150699322ab1a8a63b46 for a full test report.

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casparvl commented Mar 15, 2023

Ok, well, these failures are simply because there is no intel license on jsczen2. That's fine, it's not a problem with this PR.

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casparvl commented Mar 15, 2023

Test report by @casparvl
FAILED
Build succeeded for 6 out of 12 (4 easyconfigs in total)
tcn481.local.snellius.surf.nl - Linux Rocky Linux 8.7, x86_64, AMD EPYC 7H12 64-Core Processor, Python 3.6.8
See https://gist.github.com/ab6ccf8b6fa1b366fab368ba3cd3faaf for a full test report.

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casparvl commented Mar 15, 2023

Well, I can't get these old Intel MPIs to properly work on our system, and I don't feel like spending a lot of time trying :) Similarly, the oldest DFT-D3 seems to rely on a static libm and libc library to be on the system - which we don't have.

On Generoso, everything worked, and the changes are pretty minor, so I'm going to go ahead and merge this PR.

@casparvl casparvl added this to the next release (4.7.1) milestone Mar 15, 2023
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casparvl approved these changes Mar 15, 2023
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Lgtm!

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casparvl commented Mar 15, 2023

Going in, thanks @bedroge!

@casparvl casparvl merged commit 55c868f into easybuilders:develop Mar 15, 2023
@bedroge bedroge deleted the dftd3_urls branch March 15, 2023 07:23
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