upstream spack recipe?

[ltalirz]

it would be great if the nlcglib spack package could be upstreamed to simplify the build for users and improve reproducibility

[simonpintarelli]

Hi Leo, I'll update the main spack recipe, once the changes are merged in q-e-sirius.

[ltalirz]

Cheers, thanks Simon!

[ConradJohnston]

Hi @simonpintarelli , were these changes merged here?
electronic-structure/q-e-sirius#27

[simonpintarelli]

Hi @ConradJohnston ,

yes, the code has been merged into the main repository. Also the spack recipes have been merged upstream, it's no longer required to use the local repository.

Here are some common spack commands:

# cpu only
spack install q-e-sirius@develop-ristretto %gcc ^sirius@develop+nlcglib 
# cuda enabled
spack install q-e-sirius@develop-ristretto %gcc ^sirius@develop+nlcglib cuda_arch==XX
# cpu only / MKL
spack install q-e-sirius@develop-ristretto %gcc ^sirius@develop+nlcglib ^[email protected] threads=openmp

The develop branch of q-e-sirius is forked from QE v7.2.