diff --git a/cmake/cmake_cp2k.sh b/cmake/cmake_cp2k.sh
index 045503ac35..854ad831c5 100644
--- a/cmake/cmake_cp2k.sh
+++ b/cmake/cmake_cp2k.sh
@@ -163,8 +163,6 @@ elif [[ "${PROFILE}" == "toolchain_cuda_"* ]] && [[ "${VERSION}" == "psmp" ]]; t
     -DCP2K_USE_PLUMED=OFF \
     -DCP2K_USE_LIBSMEAGOL=OFF \
     -DCP2K_USE_LIBTORCH=OFF \
-    -DCP2K_USE_DFTD4=OFF \
-    -DCP2K_USE_TBLITE=OFF \
     -DCP2K_USE_GREENX=OFF \
     -DCP2K_USE_SPGLIB=OFF \
     -DCP2K_USE_VORI=OFF \
diff --git a/tools/docker/Dockerfile.build_hip_rocm_Mi100 b/tools/docker/Dockerfile.build_hip_rocm_Mi100
index 03d6a7bc2c..52571b640e 100644
--- a/tools/docker/Dockerfile.build_hip_rocm_Mi100
+++ b/tools/docker/Dockerfile.build_hip_rocm_Mi100
@@ -44,7 +44,6 @@ RUN ./install_cp2k_toolchain.sh \
     --mpi-mode=mpich \
     --enable-hip=yes \
     --gpu-ver=Mi100 \
-    --with-dbcsr \
     --dry-run
 
 # Dry-run leaves behind config files for the followup install scripts.
diff --git a/tools/docker/Dockerfile.build_hip_rocm_Mi50 b/tools/docker/Dockerfile.build_hip_rocm_Mi50
index e73fe4a7f3..8399803da4 100644
--- a/tools/docker/Dockerfile.build_hip_rocm_Mi50
+++ b/tools/docker/Dockerfile.build_hip_rocm_Mi50
@@ -44,7 +44,6 @@ RUN ./install_cp2k_toolchain.sh \
     --mpi-mode=mpich \
     --enable-hip=yes \
     --gpu-ver=Mi50 \
-    --with-dbcsr \
     --dry-run
 
 # Dry-run leaves behind config files for the followup install scripts.
diff --git a/tools/docker/Dockerfile.test_cuda_A100 b/tools/docker/Dockerfile.test_cuda_A100
index 00c32296d6..cfd58d1535 100644
--- a/tools/docker/Dockerfile.test_cuda_A100
+++ b/tools/docker/Dockerfile.test_cuda_A100
@@ -37,6 +37,7 @@ RUN ./install_cp2k_toolchain.sh \
     --with-mpich=install \
     --mpi-mode=mpich \
     --enable-cuda=yes \
+    --with-sirius=install \
     --gpu-ver=A100 \
     --dry-run
 
diff --git a/tools/docker/Dockerfile.test_cuda_P100 b/tools/docker/Dockerfile.test_cuda_P100
index 1d33aa9367..ed0007a40c 100644
--- a/tools/docker/Dockerfile.test_cuda_P100
+++ b/tools/docker/Dockerfile.test_cuda_P100
@@ -37,6 +37,7 @@ RUN ./install_cp2k_toolchain.sh \
     --with-mpich=install \
     --mpi-mode=mpich \
     --enable-cuda=yes \
+    --with-sirius=install \
     --gpu-ver=P100 \
     --dry-run
 
diff --git a/tools/docker/Dockerfile.test_cuda_V100 b/tools/docker/Dockerfile.test_cuda_V100
index b5aa0f4e9a..04813ca56f 100644
--- a/tools/docker/Dockerfile.test_cuda_V100
+++ b/tools/docker/Dockerfile.test_cuda_V100
@@ -37,6 +37,7 @@ RUN ./install_cp2k_toolchain.sh \
     --with-mpich=install \
     --mpi-mode=mpich \
     --enable-cuda=yes \
+    --with-sirius=install \
     --gpu-ver=V100 \
     --dry-run
 
diff --git a/tools/docker/Dockerfile.test_performance_cuda_A100 b/tools/docker/Dockerfile.test_performance_cuda_A100
index a000de4c66..8898e83e36 100644
--- a/tools/docker/Dockerfile.test_performance_cuda_A100
+++ b/tools/docker/Dockerfile.test_performance_cuda_A100
@@ -37,6 +37,7 @@ RUN ./install_cp2k_toolchain.sh \
     --with-mpich=install \
     --mpi-mode=mpich \
     --enable-cuda=yes \
+    --with-sirius=install \
     --gpu-ver=A100 \
     --dry-run
 
diff --git a/tools/docker/Dockerfile.test_performance_cuda_P100 b/tools/docker/Dockerfile.test_performance_cuda_P100
index 3cc73ed6c9..76d1f3834c 100644
--- a/tools/docker/Dockerfile.test_performance_cuda_P100
+++ b/tools/docker/Dockerfile.test_performance_cuda_P100
@@ -37,6 +37,7 @@ RUN ./install_cp2k_toolchain.sh \
     --with-mpich=install \
     --mpi-mode=mpich \
     --enable-cuda=yes \
+    --with-sirius=install \
     --gpu-ver=P100 \
     --dry-run
 
diff --git a/tools/docker/Dockerfile.test_performance_cuda_V100 b/tools/docker/Dockerfile.test_performance_cuda_V100
index 50767e48ad..8b3386eefb 100644
--- a/tools/docker/Dockerfile.test_performance_cuda_V100
+++ b/tools/docker/Dockerfile.test_performance_cuda_V100
@@ -37,6 +37,7 @@ RUN ./install_cp2k_toolchain.sh \
     --with-mpich=install \
     --mpi-mode=mpich \
     --enable-cuda=yes \
+    --with-sirius=install \
     --gpu-ver=V100 \
     --dry-run
 
diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py
index 2e48a0a978..f3ee46782b 100755
--- a/tools/docker/generate_dockerfiles.py
+++ b/tools/docker/generate_dockerfiles.py
@@ -588,6 +588,7 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
         with_mpich="install",
         mpi_mode="mpich",
         enable_cuda="yes",
+        with_sirius="install",
         gpu_ver=gpu_ver,
         **kwargs,
     )
@@ -624,7 +625,6 @@ RUN hipconfig
         mpi_mode="mpich",
         enable_hip="yes",
         gpu_ver=gpu_ver,
-        with_dbcsr="",
     )