/cp2k-apptainer

CP2K Apptainer recipes

MIT LicenseMIT

cp2k-apptainer

CP2K Apptainer recipes for EMSL Tahoma

Overview

Based on the Docker recipe from https://github.com/cp2k/cp2k-containers

How to build

apptainer build --fakeroot cp2k.simg 2024.2_openmpi_skylake-avx512_psmp.def