{chem}[gomkl/2021a] pyWannier90 v2021-12-07, PySCF v1.7.6, h5py v3.2.1, libcint v4.4.0 w/ Python 3.9.5

[boegel]

(created using eb --new-pr)
requires:

• {lang}[gomkl/2021a] SciPy-bundle v2021.05 w/ Python 3.9.5 #16448

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 4 out of 4 (4 easyconfigs in total)
node3116.skitty.os - Linux RHEL 8.4, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/7435ad617de5f94380f2a431e5a7cf1d for a full test report.

[boegel]

@boegelbot please test @ generoso

[boegelbot]

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

PR test command 'EB_PR=16449 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16449 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 9325

Test results coming soon (I hope)...

- notification for comment with ID 1285287385 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]

Test report by @boegelbot
SUCCESS
Build succeeded for 4 out of 4 (4 easyconfigs in total)
cns5 - 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/8c9933aa2795101afaae8bb5dfbbc318 for a full test report.

[boegel]

@boegelbot please test @ jsc-zen2

[boegelbot]

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

PR test command 'EB_PR=16449 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16449 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

• exit code: 0
• output:

Submitted batch job 1779

Test results coming soon (I hope)...

- notification for comment with ID 1315348980 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]

Test report by @boegelbot
SUCCESS
Build succeeded for 4 out of 4 (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/e3383b2e547ec94f44ea264ac7ecbf40 for a full test report.

[jfgrimm]

Test report by @jfgrimm
SUCCESS
Build succeeded for 5 out of 5 (4 easyconfigs in total)
node107.pri.viking.alces.network - Linux CentOS Linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6138 CPU @ 2.00GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/4d38407065db241db1b45e3396a53630 for a full test report.

[jfgrimm]

Going in, thanks @boegel!