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Merged
boegel merged 8 commits into from
Mar 5, 2015
Merged

add easyconfig for GAMESS-US #1153

boegel merged 8 commits into from
Mar 5, 2015

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@boegel boegel commented Oct 22, 2014

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hpcugentbot commented Oct 22, 2014

Test FAILed.

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boegel reviewed Oct 22, 2014
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easybuild/easyconfigs/g/GAMESS-US/GAMESS-US-20130501-R1-goolf-1.5.14-no-OFED.eb Outdated
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@boegel boegel Oct 22, 2014

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fix this please: proper filename, include the patch, yaddayadda

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hpcugentbot commented Oct 22, 2014

Test PASSed.

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boegel commented Nov 28, 2014

Test report by @boegel
FAILED
Build succeeded for 0 out of 1 (1 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/3dd67c3491a626ce22de for a full test report.

@Bart-Ver Bart-Ver mentioned this pull request Jan 30, 2015
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boegel
boegel reviewed Feb 13, 2015
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easybuild/easyconfigs/g/GAMESS-US/gamess_TMP.patch Outdated
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this patch is specific to building GAMESS-US on OS X, it seems...

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boegel commented Feb 14, 2015

Test report by @boegel
FAILED
Build succeeded for 0 out of 1 (1 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/881ef46a3d8bf502ec61 for a full test report.

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hpcugentbot commented Feb 14, 2015

Refer to this link for build results (access rights to CI server needed):
https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/2355/
Test FAILed.

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hpcugentbot commented Feb 14, 2015

Refer to this link for build results (access rights to CI server needed):
https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/2356/
Test FAILed.

@boegel boegel mentioned this pull request Mar 3, 2015
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boegel commented Mar 3, 2015

Test report by @boegel
FAILED
Build succeeded for 0 out of 1 (1 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/199dacabd7b29104e52e for a full test report.

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hpcugentbot commented Mar 3, 2015

Refer to this link for build results (access rights to CI server needed):
https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/2439/
Test FAILed.

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hpcugentbot commented Mar 3, 2015

Refer to this link for build results (access rights to CI server needed):
https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/2440/
Test FAILed.

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boegel commented Mar 3, 2015

Test report by @boegel
FAILED
Build succeeded for 0 out of 1 (1 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/b40e6833fff0d6a66110 for a full test report.

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boegel commented Mar 4, 2015

Hmm, it seems like the rungms doesn't support OpenMPI by default, and it's non-trivial to get it to work (cfr. http://gshamov.blogspot.be/2013/08/how-to-use-gamess-us-with-openmpi.html)

So, leaving this here for now, and going ahead with merging easybuilders/easybuild-easyblocks#558 which does support building/testing on top of intel toolchain (see #1406)

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hpcugentbot commented Mar 4, 2015

Refer to this link for build results (access rights to CI server needed):
https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/2468/
Test FAILed.

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boegel commented Mar 4, 2015

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 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/bd338b902ad74e066dce for a full test report.

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boegel commented Mar 4, 2015

I had to skip the tests in order to make the build pass, since rungms doesn't provide support for using OpenMPI...

wpoely86
wpoely86 reviewed Mar 4, 2015
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easybuild/easyconfigs/g/GAMESS-US/GAMESS-US-20130501-R1_openblas.patch
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I think we should make it a habit of always adding a line of comment on top of a patch about what it does

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you're right... willing to write a unit test to check that? ;)

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hpcugentbot commented Mar 5, 2015

Refer to this link for build results (access rights to CI server needed):
https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/2470/
Test FAILed.

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boegel commented Mar 5, 2015

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 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/9ab72524c20d13f273f8 for a full test report.

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boegel commented Mar 5, 2015

Jenkins: test this please

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hpcugentbot commented Mar 5, 2015

Refer to this link for build results (access rights to CI server needed):
https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/2490/
Test PASSed.

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boegel commented Mar 5, 2015

Going in now easyblock PR is merged @ easybuilders/easybuild-easyblocks#558

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boegel commented Mar 5, 2015

Thanks for the review @wpoely86!

boegel added a commit that referenced this pull request Mar 5, 2015
@boegel
Merge pull request #1153 from boegel/gamess-us
99510e9 
add easyconfig for GAMESS-US
@boegel boegel merged commit 99510e9 into easybuilders:develop Mar 5, 2015
@boegel boegel deleted the gamess-us branch March 5, 2015 20:20
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@boegel @hpcugentbot @wpoely86