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{chem}[intel/2019b] NWChem v7.0.0 w/ Python 3.7.4#10479

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boegel merged 3 commits intoeasybuilders:developfrom
Micket:20200424202414_new_pr_NWChem700
Apr 27, 2020
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{chem}[intel/2019b] NWChem v7.0.0 w/ Python 3.7.4#10479
boegel merged 3 commits intoeasybuilders:developfrom
Micket:20200424202414_new_pr_NWChem700

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@Micket Micket commented Apr 24, 2020

(created using eb --new-pr)

Depends on easybuilders/easybuild-easyblocks#2043 + #10473 (GlobalArrays)

I think this is good to go with the changes to the easyblock.

…hes: NWChem-7.0.0_external-ga-peigs-flag.patch
@Micket Micket added the update label Apr 24, 2020
@Micket Micket changed the title {chem}[intel/2019b] NWChem v7.0.0 w/ Python 3.7.4 {chem}[intel/2019b] NWChem v7.0.0 w/ Python 3.7.4 WIP Apr 24, 2020
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@Micket Micket changed the title {chem}[intel/2019b] NWChem v7.0.0 w/ Python 3.7.4 WIP {chem}[intel/2019b] NWChem v7.0.0 w/ Python 3.7.4 Apr 25, 2020
@boegel boegel added this to the 4.x milestone Apr 26, 2020
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boegel commented Apr 26, 2020

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
node2434.golett.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz (haswell), Python 2.7.5
See https://gist.github.com/0b671fbb177c6a0aecbdffd8f8b9fc0c for a full test report.

@boegel boegel modified the milestones: 4.x, next release (4.2.1?) Apr 26, 2020
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boegel commented Apr 26, 2020

Test report by @boegel
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in this PR)
node3131.skitty.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/40b4e1e6ade1bfcd7552f6ab4734241a for a full test report.

edit: installation actually worked, but running test cases failed because of --read-only-installdir, see #10497

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boegel commented Apr 27, 2020

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
node3402.kirlia.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz (cascadelake), Python 2.7.5
See https://gist.github.com/dc895d9f1e66d82820bfd09cc7caca96 for a full test report.

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lgtm

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boegel commented Apr 27, 2020

Going in, thanks @Micket!

@boegel boegel merged commit 79ce614 into easybuilders:develop Apr 27, 2020
@Micket Micket deleted the 20200424202414_new_pr_NWChem700 branch April 21, 2023 13:03
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3 participants