Correct configuration of QuantumESPRESSO for 6.7/7.2/7.3, move all QE easyconfigs to "legacy" easyblock #20070

ocaisa · 2024-03-08T10:19:36Z

(created using eb --new-pr)

improve QuantumESPRESSO easyblock by cleaning up and extending configure step + running test suite easybuild-easyblocks#3241
Archive autotools-based QuantumESPRESSO easyblock and switch default to CMakeMake-based easyblock easybuild-easyblocks#3306

ocaisa · 2024-03-08T10:21:44Z

@boegelbot please test @ generoso
EB_ARGS="--include-easyblocks-from-pr 3241"

boegelbot · 2024-03-08T10:25:09Z

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

PR test command 'EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3241" EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13055

Test results coming soon (I hope)...

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ocaisa · 2024-03-08T10:27:54Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3241"

boegelbot · 2024-03-08T10:30:08Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3241" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3736

Test results coming soon (I hope)...

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boegelbot · 2024-03-08T21:27:34Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3241
FAILED
Build succeeded for 9 out of 12 (5 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/37b0b950fecf8468acd3a38f63a295cd for a full test report.

boegelbot · 2024-03-09T02:53:01Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3241
FAILED
Build succeeded for 2 out of 5 (5 easyconfigs in total)
cns2 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/345bbb8289729d641a98d04a7778a912 for a full test report.

ocaisa · 2024-03-09T19:21:19Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3241"

boegelbot · 2024-03-09T19:30:07Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3241" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3739

Test results coming soon (I hope)...

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it is of no use to you (unless you think I have a bug, which I don't).

boegelbot · 2024-03-10T03:55:51Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3241
FAILED
Build succeeded for 4 out of 5 (5 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/3f646a8d57711d5792b9d832e60b720b for a full test report.

ocaisa · 2024-03-11T11:05:23Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3241"

boegelbot · 2024-03-11T11:10:08Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3241" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3741

Test results coming soon (I hope)...

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boegelbot · 2024-03-11T21:22:14Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3241
SUCCESS
Build succeeded for 5 out of 5 (5 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/403105f611e08b8e3059ffb86a6b4cdb for a full test report.

boegel · 2024-03-12T11:34:52Z

@boegelbot please test @ generoso
EB_ARGS="--include-easyblocks-from-pr 3241"

boegelbot · 2024-03-12T11:35:30Z

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

PR test command 'EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3241" EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13073

Test results coming soon (I hope)...

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boegelbot · 2024-03-13T04:56:37Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3241
FAILED
Build succeeded for 3 out of 5 (5 easyconfigs in total)
cns2 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/1e5c9b6fecc3b09f59a1e8b7062f7f89 for a full test report.

ocaisa · 2024-03-18T21:21:21Z

@boegelbot please test @ generoso
EB_ARGS="--include-easyblocks-from-pr 3241"

boegelbot · 2024-03-18T21:25:08Z

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

PR test command 'EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3241" EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13131

Test results coming soon (I hope)...

- notification for comment with ID 2005012987 processed

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boegelbot · 2024-03-19T18:31:12Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3241
FAILED
Build succeeded for 6 out of 8 (8 easyconfigs in total)
cns1 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/cf179a8e0a21ba03a0874a7eb853473d for a full test report.

ocaisa · 2024-03-20T08:20:55Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3241 QuantumESPRESSO-7.0-foss-2021b.eb QuantumESPRESSO-7.1-intel-2022a.eb"

ocaisa · 2024-04-14T11:43:21Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.2-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb QuantumESPRESSO-7.2-foss-2022b.eb"

boegelbot · 2024-04-14T11:50:08Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.2-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb QuantumESPRESSO-7.2-foss-2022b.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3948

Test results coming soon (I hope)...

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Message to humans: this is just bookkeeping information for me,
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ocaisa · 2024-04-14T11:50:45Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.3-foss-2023a.eb QuantumESPRESSO-7.3-intel-2023a.eb"

boegelbot · 2024-04-14T12:00:08Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.3-foss-2023a.eb QuantumESPRESSO-7.3-intel-2023a.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3949

Test results coming soon (I hope)...

- notification for comment with ID 2054022738 processed

Message to humans: this is just bookkeeping information for me,
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ocaisa · 2024-04-14T12:00:12Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.1-foss-2022a.eb QuantumESPRESSO-7.1-intel-2022a.eb"

boegelbot · 2024-04-14T12:10:08Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.1-foss-2022a.eb QuantumESPRESSO-7.1-intel-2022a.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3950

Test results coming soon (I hope)...

- notification for comment with ID 2054025124 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).

ocaisa · 2024-04-14T12:16:05Z

@boegelbot please test @ jsc-zen3
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.0-foss-2021b.eb QuantumESPRESSO-7.0-intel-2021b.eb QuantumESPRESSO-6.7-foss-2021a.eb QuantumESPRESSO-6.7-intel-2021a.eb QuantumESPRESSO-6.8-foss-2021a.eb QuantumESPRESSO-6.8-intel-2021a.eb QuantumESPRESSO-6.8-foss-2021b.eb"

boegelbot · 2024-04-14T12:20:08Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.0-foss-2021b.eb QuantumESPRESSO-7.0-intel-2021b.eb QuantumESPRESSO-6.7-foss-2021a.eb QuantumESPRESSO-6.7-intel-2021a.eb QuantumESPRESSO-6.8-foss-2021a.eb QuantumESPRESSO-6.8-intel-2021a.eb QuantumESPRESSO-6.8-foss-2021b.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3951

Test results coming soon (I hope)...

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Message to humans: this is just bookkeeping information for me,
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boegelbot · 2024-04-14T16:12:05Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
jsczen3c2.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/e4f74d4115320c41b718ae5f7455813f for a full test report.

boegelbot · 2024-04-14T17:42:42Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/99ff920b6a4d91aed26c564e568feb63 for a full test report.

ocaisa · 2024-04-14T18:30:12Z

@boegelbot please test @ generoso
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.3-foss-2023a.eb QuantumESPRESSO-7.3-intel-2023a.eb"

boegelbot · 2024-04-14T18:35:09Z

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

PR test command 'EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.3-foss-2023a.eb QuantumESPRESSO-7.3-intel-2023a.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13289

Test results coming soon (I hope)...

- notification for comment with ID 2054147659 processed

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boegelbot · 2024-04-14T18:36:30Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/b51c022ca2ff032ffea0b07be7f26776 for a full test report.

ocaisa · 2024-04-14T18:50:32Z

@boegelbot please test @ generoso
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.2-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb QuantumESPRESSO-7.2-foss-2022b.eb"

boegelbot · 2024-04-14T18:55:09Z

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

PR test command 'EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.2-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb QuantumESPRESSO-7.2-foss-2022b.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13290

Test results coming soon (I hope)...

- notification for comment with ID 2054152879 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).

boegelbot · 2024-04-14T22:42:24Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
FAILED
Build succeeded for 6 out of 14 (7 easyconfigs in total)
jsczen3c2.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/42b51748bddf8b2c1cf90c7a5a84abcd for a full test report.

boegelbot · 2024-04-15T03:33:17Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
cns1 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/426360662f2bf20f874d4aae15dc1ee8 for a full test report.

boegelbot · 2024-04-15T06:23:43Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
cns2 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/dade5932547dae5e690e59600e83644e for a full test report.

boegel · 2024-04-15T07:57:54Z

@boegelbot please test @ generoso
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.0-intel-2021b.eb"

boegelbot · 2024-04-16T07:01:27Z

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

PR test command 'EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.0-intel-2021b.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13307

Test results coming soon (I hope)...

- notification for comment with ID 2056019325 processed

Message to humans: this is just bookkeeping information for me,
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boegelbot · 2024-04-16T07:53:00Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
cns6 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/d7ecb199640c4f7a9ced13fef48f8632 for a full test report.

ocaisa · 2024-04-17T10:54:39Z

@boegelbot please test @ generoso
EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.0-intel-2021b.eb"

boegelbot · 2024-04-17T14:10:20Z

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

PR test command 'EB_PR=20070 EB_ARGS="--include-easyblocks-from-pr 3306 QuantumESPRESSO-7.0-intel-2021b.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20070 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13326

Test results coming soon (I hope)...

- notification for comment with ID 2060983144 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).

boegelbot · 2024-04-17T14:55:32Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3306
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
cns2 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/bf874ee89722f225771ac5b39877dee1 for a full test report.

Alan O'Cais and others added 2 commits March 8, 2024 10:19

Correct configuration of QuantumESPRESSO for 6.7/7.2

40de60f

Update QuantumESPRESSO-7.2-foss-2022b.eb

08ec5b2

ocaisa added this to the release after 4.9.0 milestone Mar 8, 2024

ocaisa added the enhancement label Mar 8, 2024

Update QuantumESPRESSO-7.2-foss-2022b.eb

9ebcd49

Switching on OpenMP causes may test failures for QE 7.2 and Intel

e102d88

Update QuantumESPRESSO-7.2-intel-2022b.eb

5ef1d08

ocaisa mentioned this pull request Mar 12, 2024

improve QuantumESPRESSO easyblock by cleaning up and extending configure step + running test suite easybuilders/easybuild-easyblocks#3241

Merged

Allow for some failing tests in old easyconfigs

d3972cd

ocaisa added 2 commits March 19, 2024 16:21

Update QuantumESPRESSO-6.7-foss-2021a.eb

1e6c726

Update QuantumESPRESSO-6.7-intel-2021a.eb

279d853

Move all legacy QuantumESPRESSO easyconfigs to the legacy easyblock

6a4f58e

ocaisa mentioned this pull request Apr 14, 2024

{chem}[foss/2023a] QuantumESPRESSO v7.3 has seen a single failure in test suites on some architectures #20306

Closed

ocaisa changed the title ~~Correct configuration of QuantumESPRESSO for 6.7/7.2~~ Correct configuration of QuantumESPRESSO for 6.7/7.2/7.3, move all QE easyconfigs to "legacy" easyblock Apr 14, 2024

easybuilders deleted a comment from boegelbot Apr 14, 2024

Update QuantumESPRESSO-7.0-intel-2021b.eb

9eb89b6

Correct configuration of QuantumESPRESSO for 6.7/7.2/7.3, move all QE easyconfigs to "legacy" easyblock #20070

Are you sure you want to change the base?

Correct configuration of QuantumESPRESSO for 6.7/7.2/7.3, move all QE easyconfigs to "legacy" easyblock #20070

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ocaisa commented Mar 8, 2024 • edited

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