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Use podman instead of docker

Browse source 
Rationale for this proposal: Docker is usually not provided on shared compute clusters, e.g. at HPC centres,
because docker runs a daemon with root privileges creating potential security vulnerability. By contrast,
podman is daemonless and more lightweight and is built on the same principles as Docker's API.
This commit is contained in:
Matthias Krack 2025-05-20 14:55:48 +02:00
parent 1c7524e86b
commit 107e9aed79
56 changed files with 101 additions and 101 deletions
Download patch file Download diff file Expand all files Collapse all files

4
tools/docker/Dockerfile.build_hip_rocm_Mi100
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@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.build_hip_rocm_Mi100 ../../
# Usage: podman build -f ./Dockerfile.build_hip_rocm_Mi100 ../../
#
FROM rocm/dev-ubuntu-22.04:5.3.2-complete
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.build_hip_rocm_Mi50
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.build_hip_rocm_Mi50 ../../
# Usage: podman build -f ./Dockerfile.build_hip_rocm_Mi50 ../../
#
FROM rocm/dev-ubuntu-22.04:5.3.2-complete
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_aiida
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_aiida ../../
# Usage: podman build -f ./Dockerfile.test_aiida ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_arm64-psmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_arm64-psmp ../../
# Usage: podman build -f ./Dockerfile.test_arm64-psmp ../../
#
FROM arm64v8/ubuntu:24.04
@ -30,7 +30,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_asan-psmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_asan-psmp ../../
# Usage: podman build -f ./Dockerfile.test_asan-psmp ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_asan-ssmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_asan-ssmp ../../
# Usage: podman build -f ./Dockerfile.test_asan-ssmp ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_ase
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_ase ../../
# Usage: podman build -f ./Dockerfile.test_ase ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_conventions
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_conventions ../../
# Usage: podman build -f ./Dockerfile.test_conventions ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_coverage-pdbg
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_coverage-pdbg ../../
# Usage: podman build -f ./Dockerfile.test_coverage-pdbg ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_coverage-sdbg
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_coverage-sdbg ../../
# Usage: podman build -f ./Dockerfile.test_coverage-sdbg ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_cuda_A100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_cuda_A100 ../../
# Usage: podman build -f ./Dockerfile.test_cuda_A100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_cuda_P100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_cuda_P100 ../../
# Usage: podman build -f ./Dockerfile.test_cuda_P100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_cuda_V100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_cuda_V100 ../../
# Usage: podman build -f ./Dockerfile.test_cuda_V100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

2
tools/docker/Dockerfile.test_doxygen
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_doxygen ../../
# Usage: podman build -f ./Dockerfile.test_doxygen ../../
#
FROM ubuntu:24.04

4
tools/docker/Dockerfile.test_fedora-psmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_fedora-psmp ../../
# Usage: podman build -f ./Dockerfile.test_fedora-psmp ../../
#
FROM fedora:41
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

2
tools/docker/Dockerfile.test_gcc10
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gcc10 ../../
# Usage: podman build -f ./Dockerfile.test_gcc10 ../../
#
FROM ubuntu:24.04

2
tools/docker/Dockerfile.test_gcc11
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gcc11 ../../
# Usage: podman build -f ./Dockerfile.test_gcc11 ../../
#
FROM ubuntu:24.04

2
tools/docker/Dockerfile.test_gcc12
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gcc12 ../../
# Usage: podman build -f ./Dockerfile.test_gcc12 ../../
#
FROM ubuntu:24.04

2
tools/docker/Dockerfile.test_gcc13
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gcc13 ../../
# Usage: podman build -f ./Dockerfile.test_gcc13 ../../
#
FROM ubuntu:24.04

2
tools/docker/Dockerfile.test_gcc14
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gcc14 ../../
# Usage: podman build -f ./Dockerfile.test_gcc14 ../../
#
FROM ubuntu:24.04

4
tools/docker/Dockerfile.test_gcc8
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gcc8 ../../
# Usage: podman build -f ./Dockerfile.test_gcc8 ../../
#
FROM ubuntu:20.04
@ -56,7 +56,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

2
tools/docker/Dockerfile.test_gcc9
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gcc9 ../../
# Usage: podman build -f ./Dockerfile.test_gcc9 ../../
#
FROM ubuntu:24.04

4
tools/docker/Dockerfile.test_generic_pdbg
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_generic_pdbg ../../
# Usage: podman build -f ./Dockerfile.test_generic_pdbg ../../
#
FROM ubuntu:24.04
@ -29,7 +29,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_generic_psmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_generic_psmp ../../
# Usage: podman build -f ./Dockerfile.test_generic_psmp ../../
#
FROM ubuntu:24.04
@ -29,7 +29,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_generic_sdbg
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_generic_sdbg ../../
# Usage: podman build -f ./Dockerfile.test_generic_sdbg ../../
#
FROM ubuntu:24.04
@ -29,7 +29,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_generic_ssmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_generic_ssmp ../../
# Usage: podman build -f ./Dockerfile.test_generic_ssmp ../../
#
FROM ubuntu:24.04
@ -29,7 +29,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_gromacs
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_gromacs ../../
# Usage: podman build -f ./Dockerfile.test_gromacs ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_hip_cuda_A100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_hip_cuda_A100 ../../
# Usage: podman build -f ./Dockerfile.test_hip_cuda_A100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -125,7 +125,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_hip_cuda_P100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_hip_cuda_P100 ../../
# Usage: podman build -f ./Dockerfile.test_hip_cuda_P100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -125,7 +125,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_hip_cuda_V100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_hip_cuda_V100 ../../
# Usage: podman build -f ./Dockerfile.test_hip_cuda_V100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -125,7 +125,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_hip_rocm_Mi100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_hip_rocm_Mi100 ../../
# Usage: podman build -f ./Dockerfile.test_hip_rocm_Mi100 ../../
#
FROM rocm/dev-ubuntu-22.04:5.3.2-complete
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_hip_rocm_Mi50
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_hip_rocm_Mi50 ../../
# Usage: podman build -f ./Dockerfile.test_hip_rocm_Mi50 ../../
#
FROM rocm/dev-ubuntu-22.04:5.3.2-complete
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_i-pi
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_i-pi ../../
# Usage: podman build -f ./Dockerfile.test_i-pi ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_intel-psmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_intel-psmp ../../
# Usage: podman build -f ./Dockerfile.test_intel-psmp ../../
#
FROM intel/hpckit:2024.2.1-0-devel-ubuntu22.04
@ -31,7 +31,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_intel-ssmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_intel-ssmp ../../
# Usage: podman build -f ./Dockerfile.test_intel-ssmp ../../
#
FROM intel/hpckit:2024.2.1-0-devel-ubuntu22.04
@ -31,7 +31,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_manual
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_manual ../../
# Usage: podman build -f ./Dockerfile.test_manual ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

2
tools/docker/Dockerfile.test_minimal
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_minimal ../../
# Usage: podman build -f ./Dockerfile.test_minimal ../../
#
FROM ubuntu:24.04

2
tools/docker/Dockerfile.test_misc
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_misc ../../
# Usage: podman build -f ./Dockerfile.test_misc ../../
#
FROM ubuntu:24.04

2
tools/docker/Dockerfile.test_nvhpc
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_nvhpc ../../
# Usage: podman build -f ./Dockerfile.test_nvhpc ../../
#
FROM ubuntu:22.04

4
tools/docker/Dockerfile.test_openmpi-psmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_openmpi-psmp ../../
# Usage: podman build -f ./Dockerfile.test_openmpi-psmp ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_pdbg
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_pdbg ../../
# Usage: podman build -f ./Dockerfile.test_pdbg ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_performance
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_performance ../../
# Usage: podman build -f ./Dockerfile.test_performance ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_performance_cuda_A100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_performance_cuda_A100 ../../
# Usage: podman build -f ./Dockerfile.test_performance_cuda_A100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_performance_cuda_P100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_performance_cuda_P100 ../../
# Usage: podman build -f ./Dockerfile.test_performance_cuda_P100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_performance_cuda_V100
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_performance_cuda_V100 ../../
# Usage: podman build -f ./Dockerfile.test_performance_cuda_V100 ../../
#
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04
@ -43,7 +43,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

2
tools/docker/Dockerfile.test_precommit
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_precommit ../../
# Usage: podman build -f ./Dockerfile.test_precommit ../../
#
FROM ubuntu:24.04

4
tools/docker/Dockerfile.test_psmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_psmp ../../
# Usage: podman build -f ./Dockerfile.test_psmp ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/Dockerfile.test_sdbg
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_sdbg ../../
# Usage: podman build -f ./Dockerfile.test_sdbg ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

2
tools/docker/Dockerfile.test_spack
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_spack ../../
# Usage: podman build -f ./Dockerfile.test_spack ../../
#
FROM ubuntu:24.04

4
tools/docker/Dockerfile.test_ssmp
View file

@ -1,6 +1,6 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: docker build -f ./Dockerfile.test_ssmp ../../
# Usage: podman build -f ./Dockerfile.test_ssmp ../../
#
FROM ubuntu:24.04
@ -28,7 +28,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build

4
tools/docker/README.md
View file

@ -10,11 +10,11 @@ To run a test one simply has to build the image:
```shell
./spack_cache_start.sh
docker build --network=host --shm-size=1g -f Dockerfile.test_sdbg -t cp2k_test_sdbg ../../
podman build --network=host --shm-size=1g -f Dockerfile.test_sdbg -t cp2k_test_sdbg ../../
```
To retrieve the cached report of an old image simply run it:
```shell
docker run cp2k_test_sdbg
podman run cp2k_test_sdbg
```

4
tools/docker/generate_dockerfiles.py
View file

@ -788,7 +788,7 @@ RUN ./install_cp2k_toolchain.sh \
--dry-run
# Dry-run leaves behind config files for the followup install scripts.
# This breaks up the lengthy installation into smaller docker build steps.
# This breaks up the lengthy installation into smaller build steps.
COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build
@ -919,7 +919,7 @@ class OutputFile:
self.content = io.StringIO()
self.content.write(f"#\n")
self.content.write(f"# This file was created by generate_dockerfiles.py.\n")
self.content.write(f"# Usage: docker build -f ./{filename} ../../\n")
self.content.write(f"# Usage: podman build -f ./{filename} ../../\n")
self.content.write(f"#\n")
def __enter__(self) -> io.StringIO:

2
tools/docker/spack_cache_list.sh
View file

@ -2,6 +2,6 @@
# author: Ole Schuett
docker exec spack-cache mc ls --recursive --summarize local/spack-cache
podman exec spack-cache mc ls --recursive --summarize local/spack-cache
#EOF

2
tools/docker/spack_cache_remove.sh
View file

@ -2,6 +2,6 @@
# author: Ole Schuett
docker rm spack-cache
podman rm spack-cache
#EOF

12
tools/docker/spack_cache_start.sh
View file

@ -2,25 +2,25 @@
# author: Ole Schuett
if docker start spack-cache; then
if podman start spack-cache; then
echo "Re-started existing spack cache."
else
# Start MinIO server.
docker run --name spack-cache --detach -p 9000:9000 -p 9001:9001 \
podman run --name spack-cache --detach -p 9000:9000 -p 9001:9001 \
quay.io/minio/minio server /data --console-address ":9001"
sleep 3
docker container logs spack-cache
podman container logs spack-cache
# Configure localhost.
docker exec spack-cache mc alias set local http://localhost:9000 minioadmin minioadmin
podman exec spack-cache mc alias set local http://localhost:9000 minioadmin minioadmin
# Create bucket.
docker exec spack-cache mc mb local/spack-cache
podman exec spack-cache mc mb local/spack-cache
# Make bucket public.
docker exec spack-cache mc anonymous set public local/spack-cache
podman exec spack-cache mc anonymous set public local/spack-cache
echo "Started new spack cache."
fi

2
tools/docker/spack_cache_stop.sh
View file

@ -2,6 +2,6 @@
# author: Ole Schuett
docker container stop spack-cache
podman container stop spack-cache
#EOF