Docker Images

Docker images

All images are hosted on the GitHub Container Registry of the CP2K organization.

Ubuntu Build Environment

The image is based on Ubuntu 22.04 and contains:

  • GNU Fortran Compiler
  • OpenBLAS
  • OpenMPI and MPICH
  • CMake (recent version)
  • Ninja (recent version)
  • libxsmm
  • FORD
  • pre-commit

Using the image

$ cd dbcsr
$ docker run --rm -it -v $PWD:/app --workdir /app --user $(id -u):$(id -g) ghcr.io/cp2k/dbcsr-build-env-ubuntu-22.04 /bin/bash
$ mkdir build && cd build/
$ cmake -G Ninja ..
$ cmake --build .

Building the image

If you need to rebuild the image, use:

$ cd dbcsr/tools/docker
$ docker build -t dbcsr-build-env-ubuntu-22.04 -f Dockerfile.build-env-ubuntu .

ROCm Build Environment

The image is based on Ubuntu 22.04 and contains:

  • GNU Fortran Compiler
  • OpenBLAS
  • MPICH
  • CMake (recent version)
  • Ninja (recent version)
  • Git
  • ROCm (hip, rocblas, rocsolver, hipblas)

Latest GCC Build Environment

The image is based on gcc:latest, which in turn uses Debian (testing). It contains:

  • Latest GNU Fortran Compiler
  • OpenBLAS
  • CMake (recent version)
  • Ninja (recent version)
  • Git
  • no MPI