{chem} [intel/2016] PSI4-20160201 (REVIEW) by wpoely86 · Pull Request #2445 · easybuilders/easybuild-easyconfigs

wpoely86 · 2016-02-05T12:41:43Z

Needs easybuilders/easybuild-easyblocks#824

wpoely86 · 2016-02-05T13:05:27Z

@boegel review please

wpoely86 · 2016-02-05T14:10:09Z

Test report by @wpoely86
SUCCESS
Build succeeded for 8 out of 8 (7 easyconfigs in this PR)
Linux centos linux 7.2.1511, Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz, Python 2.7.5
See https://gist.github.com/d6020a4865b2f85f2062 for a full test report.

hpcugentbot · 2016-02-05T14:31:22Z

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5955/console for more details.

Please fix the reported issues by pushing additional commits to the branch corresponding with this pull request; contact @boegel if you're not sure what to do.

wpoely86 · 2016-02-05T14:36:59Z

retest this please

boegel · 2016-02-05T14:40:28Z

+dependencies = [
+    (python, pyver),
+    ('zlib', '1.2.8'),
+    ('Boost', '1.59.0', versionsuffix),


there are issues with 1.60

wpoely86 · 2016-02-05T15:31:25Z

Test report by @wpoely86
SUCCESS
Build succeeded for 7 out of 7 (7 easyconfigs in this PR)
Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/5adc484b876bc5f22762 for a full test report.

hpcugentbot · 2016-02-05T15:55:28Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5956/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

wpoely86 · 2016-02-05T16:04:24Z

Test report by @wpoely86
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
Linux centos linux 7.2.1511, Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz, Python 2.7.5
See https://gist.github.com/54ee781eb677aeacd755 for a full test report.

hpcugentbot · 2016-02-05T16:06:20Z

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5964/console for more details.

Please fix the reported issues by pushing additional commits to the branch corresponding with this pull request; contact @boegel if you're not sure what to do.

boegel · 2016-02-05T16:14:32Z

Jenkins: test this please

wpoely86 · 2016-02-05T16:23:52Z

Test report by @wpoely86
FAILED
Build succeeded for 5 out of 7 (1 easyconfigs in this PR)
Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/469901a3dba291f3d1ef for a full test report.

wpoely86 · 2016-02-05T16:25:53Z

mm, not sure why perl has failed in that last build, I didn't change anything but was running several things at the same time...

wpoely86 · 2016-02-05T16:42:11Z

Test report by @wpoely86
SUCCESS
Build succeeded for 8 out of 8 (1 easyconfigs in this PR)
Linux centos linux 7.2.1511, Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz, Python 2.7.5
See https://gist.github.com/a5dd83b633f72ce1187b for a full test report.

hpcugentbot · 2016-02-05T17:19:03Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5975/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

hpcugentbot · 2016-02-05T17:38:30Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5976/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

boegel · 2016-02-05T18:04:08Z

@wpoely86: care to resubmit a test report for SL6.7?

hpcugentbot · 2016-02-05T18:14:57Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5979/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

wpoely86 · 2016-02-05T18:40:51Z

Test report by @wpoely86
FAILED
Build succeeded for 4 out of 5 (1 easyconfigs in this PR)
Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/8fea1b71a36051266b70 for a full test report.

hpcugentbot · 2016-02-05T18:51:09Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5981/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

hpcugentbot · 2016-02-05T20:28:32Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/5987/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

boegel · 2016-02-06T08:43:58Z

@wpoely86: now PSI4 fails on SL6?

* develop: Fix typo Add missing dep for Szip Serial version of HDF5 1.8.16 with intel/2016a arpack-ng 3.3 for intel/2016a add easyconfig HDF5-1.8.16-intel-2016a.eb, add easyconfig Szip-2.1-intel-2016a.eb add easyconfig CMake-3.4.3-intel-2016a.eb use sanity_check_commands instead of runtest fixed merge conflicts added extra sanity checks

hpcugentbot · 2016-02-06T15:21:06Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/6002/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

wpoely86 · 2016-02-06T15:28:26Z

@boegel quota was full. I'm rerunning it now but it will be fine.

wpoely86 · 2016-02-06T15:44:19Z

Test report by @wpoely86
FAILED
Build succeeded for 4 out of 6 (5 easyconfigs in this PR)
Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/2ab077c31120739bf2dc for a full test report.

wpoely86 · 2016-02-06T15:46:26Z

aaaah, this is why I don't like splitting up PR's.

SL6 is fine.

boegel · 2016-02-06T15:52:27Z

@wpoely86: it's not fine, the test report failed...

wpoely86 · 2016-02-06T17:28:20Z

Test report by @wpoely86
SUCCESS
Build succeeded for 7 out of 7 (1 easyconfigs in this PR)
Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/b545ab747e64ad9b06fa for a full test report.

wpoely86 · 2016-02-06T19:12:23Z

SL6 is fine. It fails because of things unrelated to this PR. I've already run way more tests then needed for this.

boegel · 2016-02-08T14:01:30Z

Going in, thanks @wpoely86!

{chem} [intel/2016] PSI4-20160201 (REVIEW)

smoors · 2021-06-07T19:31:27Z

Test report by @smoors
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2445
FAILED
Build succeeded for 5 out of 7 (2 easyconfigs in total)
node252.hydra.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz (broadwell), Python 2.7.5
See https://gist.github.com/1d0d6c3a2e698bb61d8dc9c4f5815f28 for a full test report.

boegel · 2021-06-08T08:41:26Z

@smoors Make sure you update to latest develop of framework, see easybuilders/easybuild-framework#3724

wpoely86 added 7 commits February 5, 2016 13:35

Added PCMSolver

00a795e

Added git version of PSI4

422db6b

PCMSolver: patch is mainlined

83cbdcc

Added Eigen 3.2.7 for intel/2016a

7112190

Perl bare for intel/2016a

c16f4d8

Add CheMPS2

d5a7ac8

Added HDF5 for intel/2016a

a8923c1

boegel added this to the v2.7.0 milestone Feb 5, 2016

boegel reviewed Feb 5, 2016
View reviewed changes

Fix remarks and add more tests

1752650

wpoely86 added 2 commits February 6, 2016 16:00

Use newer version of CMake

a0d2192

boegel added a commit that referenced this pull request Feb 8, 2016

Merge pull request #2445 from wpoely86/psi4

fc56180

{chem} [intel/2016] PSI4-20160201 (REVIEW)

boegel merged commit fc56180 into easybuilders:develop Feb 8, 2016

wpoely86 deleted the psi4 branch February 8, 2016 14:49

wpoely86 mentioned this pull request Feb 8, 2016

Use own Eigen and Eigen+MKL PCMSolver/pcmsolver#19

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