diff --git a/tools/toolchain/install_cp2k_toolchain.sh b/tools/toolchain/install_cp2k_toolchain.sh
index 4ff22f8285..1ab896d920 100755
--- a/tools/toolchain/install_cp2k_toolchain.sh
+++ b/tools/toolchain/install_cp2k_toolchain.sh
@@ -110,7 +110,6 @@ OPTIONS:
                           Default = 200
 --target-cpu              Compile for the specified target CPU (e.g. haswell or generic), i.e.
                           do not optimize for the actual host system which is the default (native).
---no-arch-files           Do not generate arch files.
 --dry-run                 Write only config files, but don't actually build packages.
 
 The --enable-FEATURE options follow the rules:
@@ -251,15 +250,13 @@ The --with-PKG options follow the rules:
 FURTHER INSTRUCTIONS
 
 All packages to be installed locally will be downloaded and built inside
-./build, and then installed into package specific directories inside
-./install.
+./build, and then installed into package specific directories inside ./install.
 
-Both ./build and ./install are safe to delete, as they contain
-only the files and directories that are generated by this script. However,
-once all the packages are installed, and you compile CP2K using the arch
-files provided by this script, then you must keep ./install in exactly
-the same location as it was first created, as it contains tools and libraries
-your version of CP2K binary will depend on.
+Both ./build and ./install are safe to delete, as they contain only the files
+and directories that are generated by this script. However, once all the
+packages are installed and you compiled CP2K then you must keep ./install in
+exactly the same location as it was first created, as it contains tools and
+libraries your version of CP2K binary will depend on.
 
 It should be safe to terminate running of this script in the middle of a
 build process. The script will know if a package has been successfully
@@ -374,7 +371,6 @@ fi
 
 # default enable options
 dry_run="__FALSE__"
-no_arch_files="__FALSE__"
 enable_tsan="__FALSE__"
 enable_opencl="__FALSE__"
 enable_cuda="__FALSE__"
@@ -517,9 +513,6 @@ while [ $# -ge 1 ]; do
       user_input="${1#*=}"
       export LIBINT_LMAX="${user_input}"
       ;;
-    --no-arch-files)
-      no_arch_files="__TRUE__"
-      ;;
     --dry-run)
       dry_run="__TRUE__"
       ;;
@@ -1056,9 +1049,20 @@ else
   ./scripts/stage7/install_stage7.sh
   ./scripts/stage8/install_stage8.sh
   ./scripts/stage9/install_stage9.sh
-  if [ "${no_arch_files}" = "__FALSE__" ]; then
-    ./scripts/generate_arch_files.sh
-  fi
+  cat << EOF
+========================== usage =========================
+Done!
+To use the installed tools and libraries and cp2k version
+compiled with it you will first need to execute at the prompt:
+  source ${SETUPFILE}
+To build CP2K you should change directory:
+  cd cp2k/
+  cmake -S . -B build -DCP2K_USE_EVERYTHING=ON
+  cmake --build build -j 32
+
+See also https://manual.cp2k.org/trunk/getting-started/build-from-source.html
+
+EOF
 fi
 
 #EOF
diff --git a/tools/toolchain/scripts/arch_base.tmpl b/tools/toolchain/scripts/arch_base.tmpl
deleted file mode 100644
index bd250b252f..0000000000
--- a/tools/toolchain/scripts/arch_base.tmpl
+++ /dev/null
@@ -1,18 +0,0 @@
-CC          = ${CC_arch}
-CXX         = ${CXX_arch}
-AR          = ar -r
-FC          = ${FC_arch}
-LD          = ${LD_arch}
-#
-DFLAGS      = ${DFLAGS}
-#
-WFLAGS      = ${WFLAGS}
-#
-FCDEBFLAGS  = ${FCDEBFLAGS}
-CFLAGS      = ${CFLAGS}
-CXXFLAGS    = ${CXXFLAGS}
-FCFLAGS     = ${FCFLAGS}
-#
-LDFLAGS     = ${LDFLAGS}
-LDFLAGS_C   = ${LDFLAGS_C}
-LIBS        = ${LIBS}
diff --git a/tools/toolchain/scripts/generate_arch_files.sh b/tools/toolchain/scripts/generate_arch_files.sh
deleted file mode 100755
index 54cebcb66e..0000000000
--- a/tools/toolchain/scripts/generate_arch_files.sh
+++ /dev/null
@@ -1,513 +0,0 @@
-#!/bin/bash -e
-
-# TODO: Review and if possible fix shellcheck errors.
-# shellcheck disable=all
-
-[ "${BASH_SOURCE[0]}" ] && SCRIPT_NAME="${BASH_SOURCE[0]}" || SCRIPT_NAME=$0
-SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")" && pwd -P)"
-
-source "${SCRIPT_DIR}"/common_vars.sh
-source "${SCRIPT_DIR}"/tool_kit.sh
-source "${SCRIPT_DIR}"/signal_trap.sh
-source "${INSTALLDIR}"/toolchain.conf
-source "${INSTALLDIR}"/toolchain.env
-
-# ------------------------------------------------------------------------
-# generate arch file for compiling cp2k
-# ------------------------------------------------------------------------
-
-echo "==================== generating arch files ===================="
-echo "arch files can be found in the ${INSTALLDIR}/arch subdirectory"
-! [ -f "${INSTALLDIR}/arch" ] && mkdir -p ${INSTALLDIR}/arch
-cd ${INSTALLDIR}/arch
-
-# -------------------------
-# set compiler flags
-# -------------------------
-
-# need to switch between FC and MPICC etc in arch file, but cannot use
-# same variable names, so use _arch suffix
-CC_arch="IF_MPI(${MPICC}|${CC})"
-CXX_arch="IF_MPI(${MPICXX}|${CXX})"
-FC_arch="IF_MPI(${MPIFC}|${FC})"
-LD_arch="IF_MPI(${MPIFC}|${FC})"
-
-# we always want good line information and backtraces
-if [ "${with_intel}" != "__DONTUSE__" ]; then
-  if [ "${TARGET_CPU}" = "native" ]; then
-    BASEFLAGS="-fPIC -fp-model=precise -g -qopenmp -traceback -xHost"
-  elif [ "${TARGET_CPU}" = "generic" ]; then
-    BASEFLAGS="-fPIC -fp-model=precise -g -mtune=${TARGET_CPU} -qopenmp -traceback"
-  else
-    BASEFLAGS="-fPIC -fp-model=precise -g -march=${TARGET_CPU} -mtune=${TARGET_CPU} -qopenmp -traceback"
-  fi
-  OPT_FLAGS="-O2 -funroll-loops"
-  LDFLAGS_C="-nofor-main"
-elif [ "${with_amd}" != "__DONTUSE__" ]; then
-  if [ "${TARGET_CPU}" = "generic" ]; then
-    BASEFLAGS="-fPIC -fopenmp -g -mtune=${TARGET_CPU}"
-  else
-    BASEFLAGS="-fPIC -fopenmp -g -march=${TARGET_CPU} -mtune=${TARGET_CPU}"
-  fi
-  OPT_FLAGS="-O2 -mllvm -enable-newgvn=true"
-  LDFLAGS_C="-fno-fortran-main"
-else
-  if [ "${TARGET_CPU}" = "generic" ]; then
-    BASEFLAGS="-fno-omit-frame-pointer -fopenmp -g -mtune=${TARGET_CPU} IF_ASAN(-fsanitize=address|)"
-  else
-    BASEFLAGS="-fno-omit-frame-pointer -fopenmp -g -march=${TARGET_CPU} -mtune=${TARGET_CPU} IF_ASAN(-fsanitize=address|)"
-  fi
-  OPT_FLAGS="-O3 -funroll-loops"
-  LDFLAGS_C=""
-fi
-
-NOOPT_FLAGS="-O1"
-
-# those flags that do not influence code generation are used always, the others if debug
-if [ "${with_intel}" == "__DONTUSE__" ] && [ "${with_amd}" == "__DONTUSE__" ]; then
-  FCDEB_FLAGS="-fbacktrace -ffree-form -fimplicit-none -std=f2008"
-  FCDEB_FLAGS_DEBUG="-fsanitize=leak -fcheck=all,no-array-temps -ffpe-trap=invalid,zero,overflow -finit-derived -finit-real=snan -finit-integer=-42 -Werror=realloc-lhs -finline-matmul-limit=0"
-else
-  FCDEB_FLAGS=""
-  FCDEB_FLAGS_DEBUG=""
-fi
-
-# code coverage generation flags
-COVERAGE_FLAGS="-O1 -coverage -fkeep-static-functions"
-COVERAGE_DFLAGS="-D__NO_ABORT"
-
-# profile based optimization, see https://www.cp2k.org/howto:pgo
-PROFOPT_FLAGS="\$(PROFOPT)"
-
-# special flags for gfortran
-# https://gcc.gnu.org/onlinedocs/gfortran/Error-and-Warning-Options.html
-# we error out for these warnings (-Werror=uninitialized -Wno-maybe-uninitialized -> error on variables that must be used uninitialized)
-WFLAGS_ERROR="-Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=character-truncation -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized"
-# we just warn for those (that eventually might be promoted to WFLAGSERROR). It is useless to put something here with 100s of warnings.
-WFLAGS_WARN="-Wuninitialized -Wuse-without-only"
-# while here we collect all other warnings, some we'll ignore
-# TODO: -Wpedantic with -std2008 requires us to drop the old MPI-90 interface entirely and SIRIUS (-Wuninitialized) and DBCSR (default initializers) to initialize their types
-WFLAGS_WARNALL="-Wno-pedantic -Wall -Wextra -Wsurprising -Warray-temporaries -Wconversion-extra -Wimplicit-interface -Wimplicit-procedure -Wreal-q-constant -Walign-commons -Wfunction-elimination -Wrealloc-lhs -Wcompare-reals -Wzerotrip"
-
-# IEEE_EXCEPTIONS dependency
-IEEE_EXCEPTIONS_DFLAGS="-D__HAS_IEEE_EXCEPTIONS"
-
-# check all of the above flags, filter out incompatible flags for the
-# current version of gcc in use
-if [ "${with_intel}" == "__DONTUSE__" ] && [ "${with_amd}" == "__DONTUSE__" ]; then
-  OPT_FLAGS=$(allowed_gfortran_flags $OPT_FLAGS)
-  NOOPT_FLAGS=$(allowed_gfortran_flags $NOOPT_FLAGS)
-  FCDEB_FLAGS=$(allowed_gfortran_flags $FCDEB_FLAGS)
-  FCDEB_FLAGS_DEBUG=$(allowed_gfortran_flags $FCDEB_FLAGS_DEBUG)
-  COVERAGE_FLAGS=$(allowed_gfortran_flags $COVERAGE_FLAGS)
-  WFLAGS_ERROR=$(allowed_gfortran_flags $WFLAGS_ERROR)
-  WFLAGS_WARN=$(allowed_gfortran_flags $WFLAGS_WARN)
-  WFLAGS_WARNALL=$(allowed_gfortran_flags $WFLAGS_WARNALL)
-else
-  WFLAGS_ERROR=""
-  WFLAGS_WARN=""
-  WFLAGS_WARNALL=""
-fi
-
-# check if ieee_exeptions module is available for the current version
-# of gfortran being used
-if ! (check_gfortran_module ieee_exceptions); then
-  IEEE_EXCEPTIONS_DFLAGS=""
-fi
-
-# concatenate the above flags into WFLAGS, FCDEBFLAGS, DFLAGS and
-# finally into FCFLAGS and CFLAGS
-WFLAGS="$WFLAGS_ERROR $WFLAGS_WARN IF_WARNALL(${WFLAGS_WARNALL}|)"
-FCDEBFLAGS="$FCDEB_FLAGS IF_DEBUG($FCDEB_FLAGS_DEBUG|)"
-DFLAGS="${CP_DFLAGS} IF_DEBUG($IEEE_EXCEPTIONS_DFLAGS -D__CHECK_DIAG|) IF_COVERAGE($COVERAGE_DFLAGS|)"
-# language independent flags
-G_CFLAGS="$BASEFLAGS"
-G_CFLAGS="$G_CFLAGS IF_COVERAGE($COVERAGE_FLAGS|IF_DEBUG($NOOPT_FLAGS|$OPT_FLAGS))"
-G_CFLAGS="$G_CFLAGS IF_DEBUG(|$PROFOPT_FLAGS)"
-G_CFLAGS="$G_CFLAGS $CP_CFLAGS"
-if [ "${with_intel}" == "__DONTUSE__" ] && [ "${with_amd}" == "__DONTUSE__" ]; then
-  # FCFLAGS, for gfortran
-  FCFLAGS="$G_CFLAGS \$(FCDEBFLAGS) \$(WFLAGS) \$(DFLAGS)"
-  FCFLAGS+=" IF_MPI($(allowed_gfortran_flags "-fallow-argument-mismatch")|)"
-else
-  FCFLAGS="$G_CFLAGS \$(FCDEBFLAGS) \$(WFLAGS) \$(DFLAGS)"
-fi
-# CFLAGS, special flags for gcc
-
-# TODO: Remove -Wno-vla-parameter after upgrade to gcc 11.3.
-# https://gcc.gnu.org/bugzilla//show_bug.cgi?id=101289
-if [ "${with_intel}" != "__DONTUSE__" ]; then
-  CFLAGS="${G_CFLAGS} -std=c17 -Wall \$(DFLAGS)"
-  CXXFLAGS="${G_CFLAGS} -std=c++17 -Wall \$(DFLAGS)"
-  FCFLAGS="${FCFLAGS} -diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free"
-  # Suppress warnings and add include path to omp_lib.mod explicitly.
-  # No clue why the Intel oneAPI setup script does not include that path (bug?)
-  FCFLAGS="${FCFLAGS} -diag-disable=10448 -I/opt/intel/oneapi/2024.1/opt/compiler/include/intel64"
-elif [ "${with_amd}" != "__DONTUSE__" ]; then
-  CFLAGS="$G_CFLAGS -std=c17 -Wall \$(DFLAGS)"
-else
-  CFLAGS="${G_CFLAGS} -std=c17 -Wall -Wextra -Wno-vla-parameter -Wno-deprecated-declarations \$(DFLAGS)"
-fi
-
-# Linker flags
-# About --whole-archive see: https://gcc.gnu.org/bugzilla/show_bug.cgi?id=52590
-STATIC_FLAGS="-static -Wl,--whole-archive -lpthread -Wl,--no-whole-archive"
-# Get unfortunately ignored: -static-libgcc -static-libstdc++ -static-libgfortran
-LDFLAGS="IF_STATIC(${STATIC_FLAGS}|) \$(FCFLAGS) ${CP_LDFLAGS}"
-
-# Library flags
-# add standard libs
-LIBS="${CP_LIBS} -lstdc++"
-
-if [ "${with_intel}" == "__DONTUSE__" ] && [ "${with_amd}" == "__DONTUSE__" ]; then
-  CXXFLAGS+=" -std=c++17 \$(DFLAGS) -Wno-deprecated-declarations"
-else
-  CXXFLAGS+=" -std=c++17 \$(DFLAGS)"
-fi
-# CUDA handling
-if [ "${ENABLE_CUDA}" = __TRUE__ ] && [ "${GPUVER}" != no ]; then
-  CUDA_LIBS="-lcudart -lnvrtc -lcuda -lcufft -lcublasLt -lcublas -lrt IF_DEBUG(-lnvToolsExt|)"
-  CUDA_DFLAGS="-D__OFFLOAD_CUDA -D__DBCSR_ACC IF_DEBUG(-D__OFFLOAD_PROFILING|)"
-  if [ "${with_cusolvermp}" != "__DONTUSE__" ]; then
-    CUDA_LIBS+=" -lcusolverMp -lcusolver -lcal -lnvidia-ml"
-    CUDA_DFLAGS+=" -D__CUSOLVERMP"
-  fi
-  LIBS="${LIBS} IF_CUDA(${CUDA_LIBS}|)"
-  DFLAGS="IF_CUDA(${CUDA_DFLAGS}|) ${DFLAGS}"
-  NVFLAGS="-g -arch sm_${ARCH_NUM} -O3 -allow-unsupported-compiler -Xcompiler='-fopenmp -Wall -Wextra' --std=c++11 \$(DFLAGS)"
-  check_command nvcc "cuda"
-  check_lib -lcudart "cuda"
-  check_lib -lnvrtc "cuda"
-  check_lib -lcuda "cuda"
-  check_lib -lcufft "cuda"
-  check_lib -lcublasLt "cuda"
-  check_lib -lcublas "cuda"
-
-  # Set include flags
-  CUDA_FLAGS=""
-  add_include_from_paths CUDA_FLAGS "cuda.h" $INCLUDE_PATHS
-  NVFLAGS+=" ${CUDA_FLAGS}"
-  NVCC_TOPDIR="$(dirname $(command -v nvcc))/.."
-  CUDA_PATH="${CUDA_PATH:-${CUDA_HOME:-${NVCC_TOPDIR:-/CUDA_HOME-notset}}}"
-  CFLAGS+=" IF_CUDA(-I${CUDA_PATH}/include|)"
-  CXXFLAGS+=" IF_CUDA(-I${CUDA_PATH}/include|)"
-
-  # Set LD-flags
-  CUDA_LDFLAGS=""
-  add_lib_from_paths CUDA_LDFLAGS "libcudart.*" $LIB_PATHS
-  add_lib_from_paths CUDA_LDFLAGS "libnvrtc.*" $LIB_PATHS
-  add_lib_from_paths CUDA_LDFLAGS "libcuda.*" $LIB_PATHS
-  add_lib_from_paths CUDA_LDFLAGS "libcufft.*" $LIB_PATHS
-  add_lib_from_paths CUDA_LDFLAGS "libcublas.*" $LIB_PATHS
-  export CUDA_LDFLAGS="${CUDA_LDFLAGS}"
-  LDFLAGS+=" IF_CUDA(${CUDA_LDFLAGS}|)"
-fi
-
-# HIP handling
-if [ "${ENABLE_HIP}" = __TRUE__ ] && [ "${GPUVER}" != no ]; then
-  check_command hipcc "hip"
-  check_lib -lhipblas "hip"
-  add_lib_from_paths HIP_LDFLAGS "libhipblas.*" $LIB_PATHS
-  check_lib -lhipfft "hip"
-  add_lib_from_paths HIP_LDFLAGS "libhipfft.*" $LIB_PATHS
-
-  HIP_INCLUDES="-I${ROCM_PATH}/include"
-  case "${GPUVER}" in
-    Mi50)
-      check_lib -lamdhip64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libamdhip64.*" $LIB_PATHS
-      check_lib -lhipfft "hip"
-      add_lib_from_paths HIP_LDFLAGS "libhipfft.*" $LIB_PATHS
-      check_lib -lrocblas "hip"
-      add_lib_from_paths HIP_LDFLAGS "librocblas.*" $LIB_PATHS
-      check_lib -lroctx64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libroctx64.*" $LIB_PATHS
-      check_lib -lroctracer64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libroctracer64.*" $LIB_PATHS
-      HIP_FLAGS+="-fPIE -D__HIP_PLATFORM_AMD__ -g --offload-arch=gfx906 -O3 --std=c++11 -Wall -Wextra \$(DFLAGS)"
-      LIBS+=" IF_HIP(-lamdhip64 -lhipfft -lhipblas -lrocblas IF_DEBUG(-lroctx64 -lroctracer64|)|)"
-      DFLAGS+=" IF_HIP(-D__HIP_PLATFORM_AMD__ -D__OFFLOAD_HIP IF_DEBUG(-D__OFFLOAD_PROFILING|)|)  -D__DBCSR_ACC"
-      CXXFLAGS+=" -std=c++14 -fopenmp -Wall -Wextra"
-      ;;
-    Mi100)
-      check_lib -lamdhip64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libamdhip64.*" $LIB_PATHS
-      check_lib -lhipfft "hip"
-      add_lib_from_paths HIP_LDFLAGS "libhipfft.*" $LIB_PATHS
-      check_lib -lrocblas "hip"
-      add_lib_from_paths HIP_LDFLAGS "librocblas.*" $LIB_PATHS
-      check_lib -lroctx64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libroctx64.*" $LIB_PATHS
-      check_lib -lroctracer64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libroctracer64.*" $LIB_PATHS
-      HIP_FLAGS+="-fPIE -D__HIP_PLATFORM_AMD__ -g --offload-arch=gfx908 -O3 --std=c++11 -Wall -Wextra \$(DFLAGS)"
-      LIBS+=" IF_HIP(-lamdhip64 -lhipfft -lhipblas -lrocblas IF_DEBUG(-lroctx64 -lroctracer64|)|)"
-      DFLAGS+=" IF_HIP(-D__HIP_PLATFORM_AMD__ -D__OFFLOAD_HIP IF_DEBUG(-D__OFFLOAD_PROFILING|)|) -D__DBCSR_ACC"
-      CXXFLAGS+=" -std=c++14 -fopenmp -Wall -Wextra"
-      ;;
-    Mi250)
-      check_lib -lamdhip64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libamdhip64.*" $LIB_PATHS
-      check_lib -lhipfft "hip"
-      add_lib_from_paths HIP_LDFLAGS "libhipfft.*" $LIB_PATHS
-      check_lib -lrocblas "hip"
-      add_lib_from_paths HIP_LDFLAGS "librocblas.*" $LIB_PATHS
-      check_lib -lroctx64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libroctx64.*" $LIB_PATHS
-      check_lib -lroctracer64 "hip"
-      add_lib_from_paths HIP_LDFLAGS "libroctracer64.*" $LIB_PATHS
-      HIP_FLAGS+="-fPIE -D__HIP_PLATFORM_AMD__ -g --offload-arch=gfx90a -munsafe-fp-atomics -O3 --std=c++11 -Wall -Wextra \$(DFLAGS)"
-      LIBS+=" IF_HIP(-lamdhip64 -lhipfft -lhipblas -lrocblas IF_DEBUG(-lroctx64 -lroctracer64|)|)"
-      DFLAGS+=" IF_HIP(-D__HIP_PLATFORM_AMD__ -D__OFFLOAD_HIP IF_DEBUG(-D__OFFLOAD_PROFILING|)|) -D__DBCSR_ACC"
-      CXXFLAGS+=" -std=c++14 -fopenmp -Wall -Wextra"
-      ;;
-    *)
-      check_command nvcc "cuda"
-      check_lib -lcudart "cuda"
-      check_lib -lnvrtc "cuda"
-      check_lib -lcuda "cuda"
-      check_lib -lcufft "cuda"
-      check_lib -lcublas "cuda"
-      DFLAGS+=" IF_HIP(-D__HIP_PLATFORM_NVIDIA__ -D__HIP_PLATFORM_NVCC__ -D__OFFLOAD_HIP |) -D__DBCSR_ACC"
-      HIP_FLAGS+=" -g -arch sm_${ARCH_NUM} -O3 -Xcompiler='-fopenmp -Wall -Wextra' --std=c++11 \$(DFLAGS)"
-      add_include_from_paths CUDA_CFLAGS "cuda.h" $INCLUDE_PATHS
-      HIP_INCLUDES+=" -I${CUDA_PATH:-${CUDA_HOME:-/CUDA_HOME-notset}}/include"
-      # GCC issues lots of warnings for hip/nvidia_detail/hip_runtime_api.h
-      CFLAGS+=" -Wno-error ${CUDA_CFLAGS}"
-      CXXFLAGS+=" -std=c++14 -Wno-error ${CUDA_CFLAGS}"
-      # Set LD-flags
-      # Multiple definition because of hip/include/hip/nvidia_detail/nvidia_hiprtc.h
-      LDFLAGS+=" -Wl,--allow-multiple-definition"
-      LIBS+=" -lhipfft -lhipblas -lhipfft -lnvrtc -lcudart -lcufft -lcublas -lcuda"
-      add_lib_from_paths HIP_LDFLAGS "libcudart.*" $LIB_PATHS
-      add_lib_from_paths HIP_LDFLAGS "libnvrtc.*" $LIB_PATHS
-      add_lib_from_paths HIP_LDFLAGS "libcuda.*" $LIB_PATHS
-      add_lib_from_paths HIP_LDFLAGS "libcufft.*" $LIB_PATHS
-      add_lib_from_paths HIP_LDFLAGS "libcublas.*" $LIB_PATHS
-      ;;
-  esac
-
-  LDFLAGS+=" ${HIP_LDFLAGS}"
-  CFLAGS+=" ${HIP_INCLUDES}"
-  CXXFLAGS+=" ${HIP_INCLUDES}"
-fi
-
-# OpenCL handling (GPUVER is not a prerequisite)
-if [ "${ENABLE_OPENCL}" = __TRUE__ ]; then
-  OPENCL_DFLAGS="-D__DBCSR_ACC"
-  # avoid duplicating FLAGS
-  if [[ "${GPUVER}" == no || ("${ENABLE_CUDA}" != __TRUE__ && "${ENABLE_HIP}" != __TRUE__) ]]; then
-    OPENCL_FLAGS="${CFLAGS} ${OPENCL_DFLAGS} ${DFLAGS}"
-    DFLAGS="IF_OPENCL(${OPENCL_DFLAGS} ${DFLAGS}|)"
-    # Set include flags
-    OPENCL_INCLUDES=""
-    add_include_from_paths -p OPENCL_INCLUDES "CL" $INCLUDE_PATHS
-    if [ -e "${OPENCL_INCLUDES}/CL/cl.h" ]; then
-      OPENCL_FLAGS+=" ${OPENCL_INCLUDES}"
-    fi
-  fi
-  # Append OpenCL library to LIBS
-  LIBOPENCL=$(ldconfig -p 2> /dev/null | grep -m1 OpenCL | rev | cut -d' ' -f1 | rev)
-  if [ -e "${LIBOPENCL}" ]; then
-    echo "Found library ${LIBOPENCL}"
-    LIBS+=" IF_OPENCL(${LIBOPENCL}|)"
-  else
-    LIBS+=" IF_OPENCL(-lOpenCL|)"
-  fi
-fi
-
-# -------------------------
-# generate the arch files
-# -------------------------
-
-# generator for CP2K ARCH files
-gen_arch_file() {
-  # usage: gen_arch_file file_name flags
-  #
-  # If the flags are present they are assumed to be on, otherwise
-  # they switched off
-  require_env ARCH_FILE_TEMPLATE
-  local __filename=$1
-  shift
-  local __flags=$@
-  local __full_flag_list="MPI DEBUG CUDA WARNALL COVERAGE"
-  local __flag=""
-  for __flag in $__full_flag_list; do
-    eval "local __${__flag}=off"
-  done
-  for __flag in $__flags; do
-    eval "__${__flag}=on"
-  done
-  # generate initial arch file
-  cat $ARCH_FILE_TEMPLATE > $__filename
-  # add additional parts
-  if [ "$__CUDA" = "on" ]; then
-    cat << EOF >> $__filename
-#
-GPUVER        = \${GPUVER}
-OFFLOAD_CC    = \${NVCC}
-OFFLOAD_FLAGS = \${NVFLAGS}
-OFFLOAD_TARGET = cuda
-EOF
-  fi
-
-  if [ "$__HIP" = "on" ]; then
-    cat << EOF >> $__filename
-#
-GPUVER        = \${GPUVER}
-OFFLOAD_CC    = \${ROCM_PATH}/hip/bin/hipcc
-OFFLOAD_FLAGS = \${HIP_FLAGS} \${HIP_INCLUDES}
-OFFLOAD_TARGET = hip
-EOF
-  fi
-
-  if [ "$__OPENCL" = "on" ]; then
-    cat << EOF >> $__filename
-#
-override DBCSR_USE_ACCEL = opencl
-EOF
-    if [ "${OPENCL_FLAGS}" ]; then
-      cat << EOF >> $__filename
-OFFLOAD_FLAGS = \${OPENCL_FLAGS}
-EOF
-    fi
-  fi
-
-  if [ "$__WARNALL" = "on" ]; then
-    cat << EOF >> $__filename
-#
-SHELL       := bash
-FC          := set -o pipefail && \\\${FC}
-CC          := set -o pipefail && \\\${CC}
-CXX         := set -o pipefail && \\\${CXX}
-LD          := set -o pipefail && \\\${LD}
-FCLOGPIPE   = 2>&1 | tee \\\$(notdir \\\$<).warn
-EOF
-  fi
-  if [ "$with_gcc" != "__DONTUSE__" ]; then
-    cat << EOF >> $__filename
-#
-FYPPFLAGS   = -n --line-marker-format=gfortran5
-EOF
-  fi
-  if [ "${with_intel}" != "__DONTUSE__" ]; then
-    if [ "${with_ifx}" != "__DONTUSE__" ]; then
-      cat << EOF >> $__filename
-#
-# IFX workarounds
-hfx_contraction_methods.o: FCFLAGS += -O1
-EOF
-    else # IFORT
-      cat << EOF >> $__filename
-#
-# IFORT workarounds
-mp2_optimize_ri_basis.o: FCFLAGS += -O0
-hfx_contraction_methods.o: FCFLAGS += -O1
-paw_basis_types.o: FCFLAGS += -O1
-# ICX workaround (used along with IFORT)
-grid_dgemm_prepare_pab.o: CFLAGS += -O2
-EOF
-    fi
-  fi
-  # replace variable values in output file using eval
-  local __TMPL=$(cat $__filename)
-  eval "printf \"${__TMPL}\n\"" > $__filename
-  # pass this to parsers to replace all of the IF_XYZ statements
-  "${SCRIPTDIR}/parse_if.py" -i -f "${__filename}" $__flags
-  echo "Wrote ${INSTALLDIR}/arch/$__filename"
-}
-
-rm -f ${INSTALLDIR}/arch/local*
-# normal production arch files
-if [ "${with_intel}" != "__DONTUSE__" ] || [ "${with_amd}" != "__DONTUSE__" ]; then
-  gen_arch_file "local.ssmp"
-  gen_arch_file "local.sdbg" DEBUG
-else
-  gen_arch_file "local.ssmp"
-  gen_arch_file "local_static.ssmp" STATIC
-  gen_arch_file "local.sdbg" DEBUG
-  gen_arch_file "local_asan.ssmp" ASAN
-  gen_arch_file "local_coverage.sdbg" COVERAGE
-fi
-arch_vers="ssmp sdbg"
-
-if [ "$MPI_MODE" != no ]; then
-  if [ "${with_intel}" != "__DONTUSE__" ] || [ "${with_amd}" != "__DONTUSE__" ]; then
-    gen_arch_file "local.psmp" MPI
-    gen_arch_file "local.pdbg" MPI DEBUG
-  else
-    gen_arch_file "local.psmp" MPI
-    gen_arch_file "local.pdbg" MPI DEBUG
-    gen_arch_file "local_asan.psmp" MPI ASAN
-    gen_arch_file "local_static.psmp" MPI STATIC
-    gen_arch_file "local_warn.psmp" MPI WARNALL
-    gen_arch_file "local_coverage.pdbg" MPI COVERAGE
-  fi
-  arch_vers="${arch_vers} psmp pdbg"
-fi
-
-# opencl enabled arch files
-if [ "$ENABLE_OPENCL" = __TRUE__ ]; then
-  gen_arch_file "local_opencl.ssmp" OPENCL
-  gen_arch_file "local_opencl.sdbg" OPENCL DEBUG
-  if [ "$MPI_MODE" != no ]; then
-    gen_arch_file "local_opencl.psmp" OPENCL MPI
-    gen_arch_file "local_opencl.pdbg" OPENCL MPI DEBUG
-    gen_arch_file "local_opencl_warn.psmp" OPENCL MPI WARNALL
-    gen_arch_file "local_coverage_opencl.pdbg" OPENCL MPI COVERAGE
-  fi
-  DBCSR_OPENCL=OPENCL
-fi
-
-# cuda enabled arch files
-if [ "$ENABLE_CUDA" = __TRUE__ ]; then
-  gen_arch_file "local_cuda.ssmp" CUDA ${DBCSR_OPENCL}
-  gen_arch_file "local_cuda.sdbg" CUDA ${DBCSR_OPENCL} DEBUG
-  if [ "$MPI_MODE" != no ]; then
-    gen_arch_file "local_cuda.psmp" CUDA ${DBCSR_OPENCL} MPI
-    gen_arch_file "local_cuda.pdbg" CUDA ${DBCSR_OPENCL} MPI DEBUG
-    gen_arch_file "local_cuda_warn.psmp" CUDA ${DBCSR_OPENCL} MPI WARNALL
-    gen_arch_file "local_coverage_cuda.pdbg" CUDA ${DBCSR_OPENCL} MPI COVERAGE
-  fi
-fi
-
-# hip enabled arch files
-if [ "$ENABLE_HIP" = __TRUE__ ]; then
-  gen_arch_file "local_hip.ssmp" HIP
-  gen_arch_file "local_hip.sdbg" HIP DEBUG
-  if [ "$MPI_MODE" != no ]; then
-    gen_arch_file "local_hip.psmp" HIP MPI
-    gen_arch_file "local_hip.pdbg" HIP MPI DEBUG
-    gen_arch_file "local_hip_warn.psmp" HIP MPI WARNALL
-    gen_arch_file "local_coverage_hip.pdbg" HIP MPI COVERAGE
-  fi
-fi
-
-cd "${ROOTDIR}"
-
-# -------------------------
-# print out user instructions
-# -------------------------
-
-cat << EOF
-========================== usage =========================
-Done!
-Now copy:
-  cp ${INSTALLDIR}/arch/* to the cp2k/arch/ directory
-To use the installed tools and libraries and cp2k version
-compiled with it you will first need to execute at the prompt:
-  source ${SETUPFILE}
-To build CP2K you should change directory:
-  cd cp2k/
-  make -j $(get_nprocs) ARCH=local VERSION="${arch_vers}"
-
-arch files for GPU enabled CUDA versions are named "local_cuda.*"
-arch files for GPU enabled HIP versions are named "local_hip.*"
-arch files for OpenCL (GPU) versions are named "local_opencl.*"
-arch files for coverage versions are named "local_coverage.*"
-
-Note that these pre-built arch files are for the GNU compiler, users have to adapt them for other compilers.
-It is possible to use the provided CP2K arch files as guidance.
-EOF
-
-#EOF