Skip to content

add easyconfig for GAMESS-US#1153

Merged
boegel merged 8 commits intoeasybuilders:developfrom
boegel:gamess-us
Mar 5, 2015
Merged

add easyconfig for GAMESS-US#1153
boegel merged 8 commits intoeasybuilders:developfrom
boegel:gamess-us

Conversation

@boegel
Copy link
Copy Markdown
Member

@boegel boegel commented Oct 22, 2014

@hpcugentbot
Copy link
Copy Markdown

hpcugentbot commented Oct 22, 2014

Test FAILed.

boegel
boegel reviewed Oct 22, 2014
View reviewed changes
Comment thread easybuild/easyconfigs/g/GAMESS-US/GAMESS-US-20130501-R1-goolf-1.5.14-no-OFED.eb Outdated
Copy link
Copy Markdown
Member Author

@boegel boegel Oct 22, 2014

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

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

@hpcugentbot
Copy link
Copy Markdown

hpcugentbot commented Oct 22, 2014

Test PASSed.

@boegel
Copy link
Copy Markdown
Member Author

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
Closed
boegel
boegel reviewed Feb 13, 2015
View reviewed changes
Comment thread easybuild/easyconfigs/g/GAMESS-US/gamess_TMP.patch Outdated
Copy link
Copy Markdown
Member Author

@boegel boegel Feb 13, 2015

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

this patch is specific to building GAMESS-US on OS X, it seems...

@boegel
Copy link
Copy Markdown
Member Author

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.

@hpcugentbot
Copy link
Copy Markdown

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.

@hpcugentbot
Copy link
Copy Markdown

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
Merged
@boegel
Copy link
Copy Markdown
Member Author

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.

@hpcugentbot
Copy link
Copy Markdown

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.

@hpcugentbot
Copy link
Copy Markdown

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.

@boegel
Copy link
Copy Markdown
Member Author

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.

@boegel
Copy link
Copy Markdown
Member Author

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)

@hpcugentbot
Copy link
Copy Markdown

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.

@boegel
Copy link
Copy Markdown
Member Author

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.

@boegel
Copy link
Copy Markdown
Member Author

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
View reviewed changes
Comment thread easybuild/easyconfigs/g/GAMESS-US/GAMESS-US-20130501-R1_openblas.patch
Copy link
Copy Markdown
Member

@wpoely86 wpoely86 Mar 4, 2015

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I think we should make it a habit of always adding a line of comment on top of a patch about what it does

Copy link
Copy Markdown
Member Author

@boegel boegel Mar 4, 2015

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

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

@hpcugentbot
Copy link
Copy Markdown

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.

@boegel
Copy link
Copy Markdown
Member Author

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.

@boegel
Copy link
Copy Markdown
Member Author

boegel commented Mar 5, 2015

Jenkins: test this please

@hpcugentbot
Copy link
Copy Markdown

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.

@boegel
Copy link
Copy Markdown
Member Author

boegel commented Mar 5, 2015

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

@boegel
Copy link
Copy Markdown
Member Author

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
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Reviewers

No reviews

Assignees

No one assigned

Labels

None yet

Projects

None yet

Milestone

No milestone

Development

Successfully merging this pull request may close these issues.

3 participants

@boegel @hpcugentbot @wpoely86