{chem,data.lib,devel}[intel/2017b] AmberMini-16.16.0, LZO-2.09, mpi4py-3.0.0, netcdf4-python-1.3.1, numexpr-2.6.4, ParmEd-2.7.3, PyTables-3.4.2, pandas-0.21.0, pymbar-3.0.3#5476
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boegel merged 3 commits intoeasybuilders:developfrom Dec 6, 2017
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boegel
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Dec 6, 2017
| @@ -0,0 +1,12 @@ | |||
| --- PyTables-3.4.2/setup.py.orig 2017-11-10 17:26:25.248733569 +0100 | |||
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Test report by @boegel |
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Test report by @boegel |
boegel
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Dec 6, 2017
boegel
requested changes
Dec 6, 2017
| patches = ['netcdf4-python-1.1.8-avoid-diskless-test.patch'] | ||
| checksums = [ | ||
| 'a1674d281d54af9dd83e38f1be2dabed7de0f1bc8165adcd39c8dfddc4ec20b4', # v1.3.1rel.tar.gz | ||
| 'a8b262fa201d55f59015e1bc14466c1d113f807543bc1e05a22481ab0d216d72', # netcdf4-python-1.1.8-avoid-diskless-test.patch |
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@tovrstra Line too long, please reformat to the below to pass the style checks:
checksums = [
'a1674d281d54af9dd83e38f1be2dabed7de0f1bc8165adcd39c8dfddc4ec20b4', # v1.3.1rel.tar.gz
# netcdf4-python-1.1.8-avoid-diskless-test.patch
'a8b262fa201d55f59015e1bc14466c1d113f807543bc1e05a22481ab0d216d72',
]
boegel
approved these changes
Dec 6, 2017
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Going in, thanks @tovrstra! |
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It was a pleasure. :) |
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These are easyconfigs related to alchemical free energy calculations with OpenMM.
Full disclosure: I stole the patch file
from /apps/gent/CO7/sandybridge/software/PyTables/3.4.2-intel-2017a-Python-3.6.1/easybuild/pyTables-3.4.2-fix-libs.patch.