From 60d41ebace70cdbe750dca3ef76828a352a01e29 Mon Sep 17 00:00:00 2001
From: SY Wang <uwsy1059@qq.com>
Date: Wed, 24 Jun 2026 03:46:09 +0800
Subject: [PATCH] Docker: Remove Spack profile from cmake_cp2k.sh (#5436)

---
 tools/docker/scripts/cmake_cp2k.sh | 32 ++----------------------------
 1 file changed, 2 insertions(+), 30 deletions(-)

diff --git a/tools/docker/scripts/cmake_cp2k.sh b/tools/docker/scripts/cmake_cp2k.sh
index 51ee1a0862..d27c83c4ae 100644
--- a/tools/docker/scripts/cmake_cp2k.sh
+++ b/tools/docker/scripts/cmake_cp2k.sh
@@ -22,12 +22,7 @@ VERSION=$2
 
 # Using Ninja because of https://gitlab.kitware.com/cmake/cmake/issues/18188
 
-if [[ "${PROFILE}" =~ ^spack ]]; then
-  eval "$(spack env activate myenv --sh)"
-  # PyTorch's TorchConfig.cmake is buried in the Python site-packages directory
-  Torch_DIR="$(dirname "$(find /opt/spack ! -type l -name TorchConfig.cmake | tail -n 1)")"
-  export Torch_DIR
-elif [[ "${PROFILE}" =~ ^toolchain ]]; then
+if [[ "${PROFILE}" =~ ^toolchain ]]; then
   # shellcheck disable=SC1091
   source "${TOOLCHAIN_DIR}/install/setup"
 elif [[ "${PROFILE}" =~ ^ubuntu ]] || [[ "${PROFILE}" =~ ^minimal ]]; then
@@ -43,30 +38,7 @@ cd build || return 1
 
 # TODO: Reconcile PROFILE/VERSION with CP2K_BUILD_OPTIONS in CMakeLists.txt
 #
-if [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "psmp" ]]; then
-  cmake \
-    -GNinja \
-    -DCMAKE_INSTALL_PREFIX="${INSTALL_PREFIX}" \
-    -DCP2K_USE_EVERYTHING=ON \
-    -DCP2K_USE_DLAF=OFF \
-    -DCP2K_USE_OPENPMD=ON \
-    -DCP2K_USE_TBLITE=OFF \
-    -Werror=dev \
-    .. |& tee ./cmake.log
-  CMAKE_EXIT_CODE=$?
-
-elif [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "ssmp" ]]; then
-  cmake \
-    -GNinja \
-    -DCMAKE_INSTALL_PREFIX="${INSTALL_PREFIX}" \
-    -DCP2K_USE_EVERYTHING=ON \
-    -DCP2K_USE_MPI=OFF \
-    -DCP2K_USE_TBLITE=OFF \
-    -Werror=dev \
-    .. |& tee ./cmake.log
-  CMAKE_EXIT_CODE=$?
-
-elif [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "pdbg" ]]; then
+if [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "pdbg" ]]; then
   cmake \
     -GNinja \
     -DCMAKE_BUILD_TYPE="Debug" \