[QE-developers] Compiling pw.x on M1 macs

[Vinson, John T. (Fed)]

I have had some success compiling pw.x on the newish apple hardware. Running run-tests-pw-parallel resulted in all but 3 tests passed (3 unknown). I will attempt to give complete instructions here.

QE6.7 works out of the box.

  1.  Install homebrew
  2.  Using homebrew install gcc (11.2.0), open-mpi (4.1.1_2), fftw3 (3.3.10), and veclibfort (0.4.2_7)
  3.  To configure QE: ./configure FC=mpif90 CC=mpicc CPP=cpp-11 BLAS_LIBS="-L/opt/homebrew/lib -lveclibfort" LIBDIRS=/opt/homebrew/lib

Current develop branch needed two changes.

  1.  The script external/devxlib/config/config.sub is outdated, and needs to be adjusted to correctly parse the machine information. I pulled a more up-to-date version from iains/gcc-darwin-arm64 github repo
  2.  PW/src/efermig.f90 needed to be compiled without optimization -O0. No idea why at the moment


John Vinson
National Institute of Standards and Technology
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