Downloading Quantum Espresso

This was all done on my MacBook running on macOS Sequoia 15.5 with Apple M3 Pro chip

Go to quantum espresso website and get the latest tar ball file
Unpack in whatever directory you wish
Make sure you have gnn Fortran compiler installed. I downloaded this with homebrew.

While in theqe root directory run

$ mkdir build
$ cd build
$ cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_Fortran_COMPILER=mpif90 <path to QE source directory>
$ make [-jN]

with .. in place of <path to QE source directory

cmake will configure and install all the dependencies and packages. This took round 10 minutes.

Some issues I had initially is using make. I kept getting

1 warning generated.

cc: error: no input files

make[1]: *** [laxlib.fh] Error 1

make: *** [libla] Error 1

I’m not sure if this is a breaking issue, so I tried cmake instead.

To get the binaries in ~/bin, you must cd into build and run sudo cmake --install . --prefix ../ This copies the binaries from ~/buld/bin into ~/bin. The first example I ran looked for the binaries there and couldn’t find them

Notes 🗒️