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SebWouters / CheMPS2

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
GNU General Public License v2.0
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openmp mkl fix #51

Closed loriab closed 7 years ago

loriab commented 7 years ago

This sets CMake variable MKL if it wasn't set explicitly, then suppresses an OpenMP call that's intended for Atlas but interferes with (apparently only my) MKL. Fixes SebWouters/CheMPS2#50

loriab commented 7 years ago

I don't think the test8 failure on one of the travis builds is a real problem. On the other PR, travis passing was a little arbitrary. I can do a dummy commit to prod travis into a rebuild, if you like.