add easyblocks for GROMACS + minor bug fix in IntelBase easyblock #335
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… building with OpenMP support enabled, specify home of CUDA explicitely, only checking for BLAS/LAPACK/FFT for recent GROMACS versions
| @@ -148,7 +148,8 @@ def setup_local_home_subdir(self): | |||
| self.home_subdir_local) | |||
| if not symlink_ok: | |||
| # rename current 'intel' dir | |||
| home_intel_bk = '.'.join([self.home_subdir, "bk_easybuild"]) | |||
| home_intel_bk = tempfile.mkdtemp(dir=os.path.dirname(self.home_subdir), | |||
| prefix='%s.bk.' % os.path.basename(self.home_subdir)) | |||
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why is this update in this PR? not clear...
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it's hitch hiking here because it's a bug fix, and I expected this to go in fast (yeah, I know)
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ok, that explains it; since the PR affects the newcoming ictce GROMACS builds, I think it's passable as such...
|
if tests pass on your side, let's call this OK for merging... |
This reverts commit 0715fcc.
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well-tested with the easyconfigs touched in easybuilders/easybuild-easyconfigs#606, good to go thanks for the review @fgeorgatos! |
boegel
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Dec 21, 2013
add easyblocks for GROMACS + minor bug fix in IntelBase easyblock
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