Installing Psi4 and Psi4Numpy on arm64

Hi, I’m trying to install psi4numpy on MacOS Monterey 12.1, arm64 M1 chip

I tried following the instructions on the webpage, there appears to be no arm64 build on conda I can use and building from scratch yields the following:

psi4/psi4/src/psi4/libparallel/ fatal error: 'omp.h' file not found
#include <omp.h>
1 warning and 1 error generated.
make[5]: *** [src/psi4/libparallel/CMakeFiles/parallel.dir/] Error 1
make[4]: *** [src/psi4/libparallel/CMakeFiles/parallel.dir/all] Error 2
make[3]: *** [all] Error 2
make[2]: *** [psi4-core-prefix/src/psi4-core-stamp/psi4-core-build] Error 2
make[1]: *** [CMakeFiles/psi4-core.dir/all] Error 2
make: *** [all] Error 2

Has anyone managed to build and install on arm64? Any guidance appreciated.

Thanks a bunch!

We haven’t set up a conda build yet, in parts because also conda offers limited Apple silicon support (but it’s growing).

You can see my notes at: Apple Silicon / ARM64 notes · Issue #2333 · psi4/psi4 · GitHub

I use homebrew personally but the osx-arm64 miniforge should also work, but I haven’t tested it.