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libint revert to v1.1.4 as cp2k version 2.5.1 is not compatible with lib... #1144

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merged 2 commits into from Jan 9, 2015

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hajgato
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@hajgato hajgato commented Oct 16, 2014

...int v2.x.x

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Automatic reply from Jenkins: Can I test this?

description = """Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body
matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory."""


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drop one of the newlines?

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ok to test

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@boegel this is good to go (if Jenkins agrees).

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@boegel OK, this had to wait until #1145 is settled.

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Test PASSed.

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hajgato commented Oct 22, 2014

actually, it is independent from libint2 renaming, as it uses Libint (the cp2k easyblock written to work with libint2, but right now it is not necessary)

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Test PASSed.

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@hajgato you're right, I was a bit confused.

@boegel This is good to go!

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boegel commented Jan 9, 2015

Jenkins: test this please

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Test PASSed.

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boegel commented Jan 9, 2015

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in this PR)
Linux SL 6.6, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/a58d22fa5f52d0499491 for a full test report.

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boegel commented Jan 9, 2015

tested on top of easybuilders/easybuild-easyblocks#536, looking good, thanks @hajgato!

boegel added a commit that referenced this pull request Jan 9, 2015
libint revert to v1.1.4 as cp2k version 2.5.1 is not compatible with lib...
@boegel boegel merged commit 2085efa into easybuilders:develop Jan 9, 2015
@hajgato hajgato deleted the cp2k_libint1 branch October 9, 2015 15:39
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4 participants