ac4d0c3af7
* Quantum-Espresso: qe-6.5 fails to detect MKL for FFT qe-6.5 fails to detect MKL for FFT if BLAS_LIBS is set due to an unfortunate upsteam change in their autoconf/configure: - qe-6.5/install/m4/x_ac_qe_blas.m4 only sets 'have_blas' but no 'have_mkl' if BLAS_LIBS is set (which seems to be o.k.) - however, qe-6.5/install/m4/x_ac_qe_fft.m4 in 6.5 unfortunately relies on x_ac_qe_blas.m4 to detect MKL and set 'have_mkl' - qe-5.4 up to 6.4.1 had a different logic and worked fine with BLAS_LIBS being set However, MKL is correctly picked up by qe-6.5 for BLAS and FFT if MKLROOT is set (which SPACK does automatically for ^intel-mkl). Thus, do not set BLAS_LIBS when compiling qe-6.5 with intel-mkl. * replace all '^intel-mkl' by '^mkl' to match other packages which also provide MKL e.g. intel-parallel-studio+mkl as mentioned by @adamjstewart in #15276 |
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