Hmm, I’ve never tried compiling Psi4 with those BLAS libraries. I’d check ldd objdir/stage/lib/core*so
to look at what’s linked. And Psi4 is primarily C++, so I’d add the openmp flags to CMAKE_CXX_FLAGS
and/or LAPACK_LIBRARIES
. If there are dynamics AOCC libs, you might specify those instead of the static ones so one can track the library linkage easier.