From 28de6a4bd4c5cd3059e9eda90ec6ea3e36137c3d Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= <ole.schuett@cp2k.org>
Date: Mon, 20 Oct 2025 11:08:58 +0200
Subject: [PATCH] Docker: Remove nvhpc test

---
 tools/docker/Dockerfile.test_nvhpc   | 47 -------------------------
 tools/docker/generate_dockerfiles.py | 51 ----------------------------
 2 files changed, 98 deletions(-)
 delete mode 100644 tools/docker/Dockerfile.test_nvhpc

diff --git a/tools/docker/Dockerfile.test_nvhpc b/tools/docker/Dockerfile.test_nvhpc
deleted file mode 100644
index 61bef18740..0000000000
--- a/tools/docker/Dockerfile.test_nvhpc
+++ /dev/null
@@ -1,47 +0,0 @@
-#
-# This file was created by generate_dockerfiles.py.
-# Usage: podman build --shm-size=1g -f ./Dockerfile.test_nvhpc ../../
-#
-
-FROM ubuntu:22.04
-
-# Install Ubuntu packages.
-RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
-    apt-transport-https \
-    ca-certificates \
-    dirmngr \
-    gnupg2 \
-    libopenblas-dev \
-    make \
-    nano \
-    python3 \
-    wget \
-   && rm -rf /var/lib/apt/lists/*
-
-RUN apt-key adv --fetch-keys https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK
-RUN echo 'deb https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' > /etc/apt/sources.list.d/nvhpc.list
-
-# Install NVIDIA's HPC SDK but only keep the compilers to reduce Docker image size.
-RUN apt-get update -qq && \
-    apt-get install -qq --no-install-recommends nvhpc-22-11 && \
-    rm -rf /var/lib/apt/lists/* && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/math_libs && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/comm_libs && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/profilers && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/cuda
-
-ENV PATH ${PATH}:/opt/nvidia/hpc_sdk/Linux_x86_64/22.11/compilers/bin
-
-# Install CP2K using Linux-x86-64-nvhpc.ssmp.
-WORKDIR /opt/cp2k
-COPY ./Makefile .
-COPY ./src ./src
-COPY ./exts ./exts
-COPY ./data ./data
-COPY ./tests ./tests
-COPY ./tools/build_utils ./tools/build_utils
-COPY ./tools/regtesting ./tools/regtesting
-COPY ./arch/Linux-x86-64-nvhpc.ssmp /opt/cp2k/arch/
-
-# This takes over an hour!
-RUN make -j ARCH=Linux-x86-64-nvhpc VERSION=ssmp cp2k
diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py
index 8ce2ef64e2..c68ea1e757 100755
--- a/tools/docker/generate_dockerfiles.py
+++ b/tools/docker/generate_dockerfiles.py
@@ -42,9 +42,6 @@ def main() -> None:
             f.write(install_deps_toolchain_intel(base_image=base_image, with_ifx="yes"))
             f.write(regtest(ver, intel=True, testopts="--mpiexec mpiexec"))
 
-    with OutputFile(f"Dockerfile.test_nvhpc", args.check) as f:
-        f.write(install_deps_toolchain_nvhpc())
-
     with OutputFile(f"Dockerfile.test_minimal", args.check) as f:
         f.write(install_deps_ubuntu())
         f.write(regtest_cmake("minimal", "ssmp"))
@@ -546,54 +543,6 @@ FROM {base_image}
     )
 
 
-# ======================================================================================
-def install_deps_toolchain_nvhpc() -> str:
-    return rf"""
-FROM ubuntu:22.04
-
-# Install Ubuntu packages.
-RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
-    apt-transport-https \
-    ca-certificates \
-    dirmngr \
-    gnupg2 \
-    libopenblas-dev \
-    make \
-    nano \
-    python3 \
-    wget \
-   && rm -rf /var/lib/apt/lists/*
-
-RUN apt-key adv --fetch-keys https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK
-RUN echo 'deb https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' > /etc/apt/sources.list.d/nvhpc.list
-
-# Install NVIDIA's HPC SDK but only keep the compilers to reduce Docker image size.
-RUN apt-get update -qq && \
-    apt-get install -qq --no-install-recommends nvhpc-22-11 && \
-    rm -rf /var/lib/apt/lists/* && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/math_libs && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/comm_libs && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/profilers && \
-    rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/22.11/cuda
-
-ENV PATH ${{PATH}}:/opt/nvidia/hpc_sdk/Linux_x86_64/22.11/compilers/bin
-
-# Install CP2K using Linux-x86-64-nvhpc.ssmp.
-WORKDIR /opt/cp2k
-COPY ./Makefile .
-COPY ./src ./src
-COPY ./exts ./exts
-COPY ./data ./data
-COPY ./tests ./tests
-COPY ./tools/build_utils ./tools/build_utils
-COPY ./tools/regtesting ./tools/regtesting
-COPY ./arch/Linux-x86-64-nvhpc.ssmp /opt/cp2k/arch/
-
-# This takes over an hour!
-RUN make -j ARCH=Linux-x86-64-nvhpc VERSION=ssmp cp2k
-"""
-
-
 # ======================================================================================
 def install_deps_toolchain_cuda(gpu_ver: str, **kwargs: str) -> str:
     deps = rf"""