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ASE and GPAW installation on Apple Silicon ARM architecture

The easiest way, at least for me, to install ASE and GPAW on computers with Apple silicon is via conda together with conda-forge. Creating a new environment is highly recommended. 

Below is the script that works on my MacBookPro Apple M1 Pro:

conda create -n ase_gpaw python=3.9.19 #creating conda env called ase_gpaw

conda activate ase_gpaw

ASE installation:

conda install conda-forge::ase

We will test our ASE by installing pytest:

conda install pytest

pytest --pyargs ase

After testing ASE it's ok to see some that failed the test.

Now we are moving to GPAW installation.

First we need to install required packages for GPAW:

conda install conda-forge::libxc

conda install conda-forge::fftw

conda install conda-forge::scalapack

GPAW installation:

conda install conda-forge::gpaw

gpaw test

gpaw -P 4 test #parallel calculation test

If the test went well, you are ready to go!