From 89b733dd1d825a3d4e6c15fd286296c0bfcb5cc6 Mon Sep 17 00:00:00 2001
From: Matthias Krack <matthias.krack@psi.ch>
Date: Sun, 23 Mar 2025 07:14:19 +0100
Subject: [PATCH] Fix minimal regression test (#4093)

---
 cmake/cmake_cp2k.sh                        | 22 ++++++++++++++++++++++
 tools/docker/scripts/install_dbcsr.sh      |  2 +-
 tools/docker/scripts/test_regtest_cmake.sh |  4 ++--
 3 files changed, 25 insertions(+), 3 deletions(-)

diff --git a/cmake/cmake_cp2k.sh b/cmake/cmake_cp2k.sh
index c33632419b..8cec12bebe 100755
--- a/cmake/cmake_cp2k.sh
+++ b/cmake/cmake_cp2k.sh
@@ -73,6 +73,7 @@ elif [[ "${PROFILE}" == "spack_minimal" ]] && [[ "${VERSION}" == "psmp" ]]; then
     -DCP2K_USE_LIBSMEAGOL=OFF \
     -DCP2K_USE_LIBTORCH=OFF \
     -DCP2K_USE_LIBXC=OFF \
+    -DCP2K_USE_MPI=ON \
     -DCP2K_USE_PLUMED=OFF \
     -DCP2K_USE_SIRIUS=OFF \
     -DCP2K_USE_SPGLIB=OFF \
@@ -154,6 +155,27 @@ elif [[ "${PROFILE}" == "ubuntu" ]] && [[ "${VERSION}" == "ssmp" ]]; then
     .. |& tee ./cmake.log
   CMAKE_EXIT_CODE=$?
 
+elif [[ "${PROFILE}" == "minimal" ]] && [[ "${VERSION}" == "ssmp" ]]; then
+  cmake \
+    -GNinja \
+    -DCMAKE_BUILD_TYPE="Release" \
+    -DCMAKE_INSTALL_PREFIX="${INSTALL_PREFIX}" \
+    -DCP2K_BLAS_VENDOR=OpenBLAS \
+    -DCP2K_USE_DEEPMD=OFF \
+    -DCP2K_USE_DFTD4=OFF \
+    -DCP2K_USE_FFTW3=OFF \
+    -DCP2K_USE_LIBINT2=OFF \
+    -DCP2K_USE_LIBTORCH=OFF \
+    -DCP2K_USE_LIBXC=OFF \
+    -DCP2K_USE_LIBXSMM=OFF \
+    -DCP2K_USE_MPI=OFF \
+    -DCP2K_USE_SPGLIB=OFF \
+    -DCP2K_USE_TREXIO=OFF \
+    -DCP2K_USE_VORI=OFF \
+    -Werror=dev \
+    .. |& tee ./cmake.log
+  CMAKE_EXIT_CODE=$?
+
 elif [[ "${PROFILE}" == "toolchain_all" ]] && [[ "${VERSION}" == "psmp" ]]; then
   cmake \
     -GNinja \
diff --git a/tools/docker/scripts/install_dbcsr.sh b/tools/docker/scripts/install_dbcsr.sh
index 6da2fb5c82..d7414baea6 100755
--- a/tools/docker/scripts/install_dbcsr.sh
+++ b/tools/docker/scripts/install_dbcsr.sh
@@ -26,7 +26,7 @@ cd dbcsr-${DBCSR_ver}
 mkdir build
 cd build
 
-if [[ "${PROFILE}" == "toolchain" ]]; then
+if [[ "${PROFILE}" =~ ^toolchain ]]; then
   if [[ -f "${TOOLCHAIN_DIR}/install/setup" ]]; then
     # shellcheck disable=SC1091
     source "${TOOLCHAIN_DIR}/install/setup"
diff --git a/tools/docker/scripts/test_regtest_cmake.sh b/tools/docker/scripts/test_regtest_cmake.sh
index e90bbe32be..300c2f512b 100755
--- a/tools/docker/scripts/test_regtest_cmake.sh
+++ b/tools/docker/scripts/test_regtest_cmake.sh
@@ -34,9 +34,9 @@ export OMP_STACKSIZE=64m
 export COSMA_DIM_THRESHOLD=0
 
 # Load Spack or Toolchain environment.
-if [[ "${PROFILE}" == "spack" ]]; then
+if [[ "${PROFILE}" =~ ^spack ]]; then
   eval "$(spack env activate myenv --sh)"
-elif [[ "${PROFILE}" == "toolchain" ]]; then
+elif [[ "${PROFILE}" =~ ^toolchain ]]; then
   # shellcheck disable=SC1091
   source /opt/cp2k-toolchain/install/setup
 fi