OpenMD by wpoely86 · Pull Request #1105 · easybuilders/easybuild-easyconfigs

wpoely86 · 2014-10-01T10:41:31Z

Add OpenMD

boegel · 2014-10-03T13:03:27Z

should be 3.3.4

boegel · 2014-10-03T13:14:09Z

should be 3.2.2

bump dep versions of flex/Bison/Eigen/FFTW + add intel/2014b easyconfigs

add missing deps

boegel · 2014-10-03T15:27:57Z

Test report by @boegel
FAILED
Build succeeded for 24 out of 26
Linux SL 6.5, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/a3feb907da9904f3517a for a full test report.

wpoely86 · 2014-10-03T15:31:47Z

@boegel you're build of Perl fails. GraphViz2 is not happy:

Can't exec "dot": (null) at Makefile.PL line 34.

boegel · 2014-10-03T16:17:05Z

@wpoely86: you shouldn't include the GraphViz2 module in the Perl easyconfig since it requires external dependencies?

wpoely86 · 2014-10-03T16:17:58Z

@boegel I didn't include it 😉

boegel · 2014-10-03T16:21:07Z

@wpoely86: then you copied off an old Perl easyconfig that wasn't merged yet?

wpoely86 · 2014-10-03T16:21:15Z

@boegel I've synced the intel/2018b and the ictce/7.1.2 one. Try again?

boegel · 2014-10-03T18:04:34Z

Test report by @boegel
SUCCESS
Build succeeded for 26 out of 26
Linux SL 6.5, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/2a5e418c45412f71e7bb for a full test report.

wpoely86 · 2014-10-04T12:06:51Z

Test report by @wpoely86
FAILED
Build succeeded for 19 out of 43
Linux debian 7.6, Intel(R) Xeon(R) CPU 5130 @ 2.00GHz, Python 2.7.3
See https://gist.github.com/fdddcdb05051e7114f53 for a full test report.

boegel · 2014-10-05T08:48:58Z

@wpoely86: licensing issues?

wpoely86 · 2014-10-05T12:27:34Z

yeah, but the ictce/7.1.2 is fine.

boegel · 2014-10-06T06:55:59Z

@wpoely86: ok, I guess that's good enough since my test passed in full, thanks!

OpenMD

wpoely86 added 8 commits October 1, 2014 12:40

Preperations for OpenMD: updated some easyconfigs

8fa4927

Updated OpenBabel

60ded3f

Added OpenMD

ed080ac

Update Qhull: add patch

a5d7664

OpenMD: add sanity check

a36ed54

Added info to Qhull patch

95613d1

Updated sanity check for OpenMD and Qhull

23eb4d0

Qhull and OpenMD: fix typo

120fba7

boegel reviewed Oct 3, 2014
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bump dep versions of flex/Bison/Eigen/FFTW + add intel/2014b easyconfigs

554b736

boegel reviewed Oct 3, 2014
View reviewed changes

Comment thread easybuild/easyconfigs/o/OpenBabel/OpenBabel-2.3.2-ictce-7.1.2-Python-2.7.8.eb Outdated

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boegel Oct 3, 2014

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should be 3.2.2

wpoely86 and others added 3 commits October 3, 2014 15:17

Merge pull request #14 from boegel/openmd

9f1585a

bump dep versions of flex/Bison/Eigen/FFTW + add intel/2014b easyconfigs

add missing deps

bf3625a

Merge pull request #15 from boegel/openmd

4034088

add missing deps

Sync Perl for intel/2014b and ictce/7.1.2

e2b904a

boegel added a commit that referenced this pull request Oct 6, 2014

Merge pull request #1105 from wpoely86/openmd

9fe3067

OpenMD

boegel merged commit 9fe3067 into easybuilders:develop Oct 6, 2014

wpoely86 deleted the openmd branch October 6, 2014 07:12

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wpoely86 commented Oct 1, 2014

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boegel commented Oct 3, 2014

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wpoely86 commented Oct 3, 2014

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wpoely86 commented Oct 3, 2014

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boegel commented Oct 3, 2014

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wpoely86 commented Oct 3, 2014

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boegel commented Oct 3, 2014

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wpoely86 commented Oct 4, 2014

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boegel commented Oct 5, 2014

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wpoely86 commented Oct 5, 2014

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boegel commented Oct 6, 2014

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