QuickFF and Yaff for DEFNET by lvduyfhu · Pull Request #2721 · easybuilders/easybuild-easyconfigs

lvduyfhu · 2016-03-15T10:48:22Z

We've tested both eb files on Raichu. All should be fine.

hpcugentbot · 2016-03-15T10:48:24Z

Automatic reply from Jenkins: Can I test this?

boegel · 2016-03-15T11:02:11Z

Jenkins: ok to test

boegel · 2016-03-15T11:03:51Z

+    (python, pythonversion),
+    ('matplotlib', '1.5.0', versionsuffix),
+    ('molmod', '1.1', versionsuffix),
+    ('yaff', 'thesissven2.13', '%s-HDF5-1.8.15-patch1-serial' %(versionsuffix))


the version here (thesissven) looks weird/wrong?

cc @tovrstra

Indeed. the dependency needs to fixed. This worked on our side because of the many different versions that were installed.

hpcugentbot · 2016-03-15T11:25:23Z

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7121/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 · 2016-03-15T11:44:47Z

+pyver = '2.7.10'
+
+hdf5ver = '1.8.15-patch1'
+versionsuffix = '-Python-%s-HDF5-%s-serial' %(pyver, hdf5ver)


please rename this easyconfig to yaff-1.0.develop.2.13-intel-2015b-Python-2.7.10-HDF5-1.8.15-patch1-serial.eb, to match the versionsuffix you're using

…etests

hpcugentbot · 2016-03-15T13:30:14Z

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7125/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.

hpcugentbot · 2016-03-15T13:43:25Z

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7126/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 · 2016-03-15T13:46:34Z

missing dependency:

Irresolvable dependencies encountered: molmod/1.1-intel-2015b-Python-2.7.10

hpcugentbot · 2016-03-15T14:01:26Z

Easyconfigs unit test suite FAILed.

See https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7127/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.

hpcugentbot · 2016-03-15T15:51:57Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7129/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 · 2016-03-15T17:08:06Z

Test report by @boegel
FAILED
Build succeeded for 1 out of 3 (3 easyconfigs in this PR)
node2159.delcatty.os - Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/c47dc32f63fc4f2e0603 for a full test report.

boegel · 2016-03-15T17:10:31Z

+]
+
+options = {'modulename': name}
+runtest = 'python setup.py build_ext -i; nosetests -v'


tests are failing because $DISPLAY is not set; does this need the same backend: agg trick as in the molmod easyconfig?

I ran a quick test, using the same runtest as in the molmod easyconfig fixes this problem

I would also expect that to be the culprit.

(In the long run, we may consider modifying the matplotlib install to use agg by default. In a HPC setting, it is somewhat unnatural for matplotlib to assume that $DISPLAY is meaningful.)

Can you update the PR, or ask @lvduyfhu to update it (done now, I guess ;-))

Hmm, I don't have the permissions. Louis will get on it. He had something going on tonight though.

If you want, you can issue a wrapper PR that includes the commits in here, and adds an extra commit on top...

I just fixed the yaff eb using the molmod runtest

Thanks @lvduyfhu!

hpcugentbot · 2016-03-15T18:25:02Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7131/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 · 2016-03-15T19:13:42Z

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in this PR)
node2159.delcatty.os - Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/cf7d86504557a5b6a621 for a full test report.

boegel · 2016-03-15T20:19:17Z

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in this PR)
node2670.swalot.os - Linux centos linux 7.2.1511, Intel(R) Xeon(R) CPU E5-2660 v3 @ 2.60GHz, Python 2.7.5
See https://gist.github.com/76c63f7c6f9c9dbb07fb for a full test report.

boegel · 2016-03-15T21:58:09Z

some minor style fixes in lvduyfhu#1, but otherwise good to go!

style fixes for molmod/QuickFF/yaff easyconfigs

boegel · 2016-03-16T10:00:52Z

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in this PR)
node2159.delcatty.os - Linux SL 6.7, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/1a035d24407b0bd628ce for a full test report.

hpcugentbot · 2016-03-16T10:14:36Z

Easyconfigs unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyconfigs-pr-builder/7138/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 · 2016-03-16T10:19:45Z

going in, thanks @lvduyfhu and @tovrstra!

QuickFF and Yaff for DEFNET

1f16832

boegel added this to the v2.7.0 milestone Mar 15, 2016

boegel reviewed Mar 15, 2016
View reviewed changes

lvduyfhu added 3 commits March 15, 2016 13:50

Fix yaff version in quickff eb, fix yaff eb filename and fix yaff nos…

4e9120d

…etests

Update eb file to new yaff version with fixed nose tests

64f041f

Update QuickFF eb file to new yaff version

91129f8

Add eb file to build the molmod dependency of yaff and QuickFF

ac747bc

boegel reviewed Mar 15, 2016
View reviewed changes

Fix matplotlib bug in yaff eb

c606462

style fixes

914b6e8

boegel mentioned this pull request Mar 15, 2016

style fixes for molmod/QuickFF/yaff easyconfigs lvduyfhu/easybuild-easyconfigs#1

Merged

Merge pull request #1 from boegel/quickff

4a43028

style fixes for molmod/QuickFF/yaff easyconfigs

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