diff --git a/arch/JURECA-cpu.psmp b/arch/JURECA-cpu.psmp
deleted file mode 100644
index 2cc0d02e4b..0000000000
--- a/arch/JURECA-cpu.psmp
+++ /dev/null
@@ -1,458 +0,0 @@
-#!/bin/bash
-#
-# CP2K arch file for JURECA at FZ Juelich (2 AMD EPYC 7742 CPUs per node)
-#
-# Tested with: GNU 11.3.0, ParaStationMPI, 
-#              ScaLAPACK 2.2.1, OpenBLAS 0.3.28,
-#              FFTW 3.3.10, COSMA 2.6.6,
-#              ELPA 2024.03.001, HDF5 1.14.2,
-#              LIBINT 2.6.0, LIBPEXSI 1.2.0,
-#              LIBXC 6.2.2, LIBVORI 220621,
-#              LIBXSMM 1.17, PLUMED 2.9.0,
-#              SIRIUS 7.5.2, SPGLIB 2.3.1
-#
-# Usage: Source this arch file and then run make as instructed.
-#        A full toolchain installation is performed as default.
-#        Replace or adapt the "module add" commands below if needed.
-#
-# Last update: 12.08.2024
-#
-# \
-   if [ "${0}" = "${BASH_SOURCE}" ]; then \
-      echo "ERROR: Script ${0##*/} must be sourced"; \
-      echo "Usage: source ${0##*/}"; \
-      exit 1; \
-   fi; \
-   this_file=${BASH_SOURCE##*/}; \
-   module purge; \
-   module add GCC/11.3.0; \
-   module add ParaStationMPI/5.8.0-1-mt; \
-   module list; \
-   module save cp2k_jureca_cpu_psmp; \
-   echo "To load the required modules in your batch job script, use:"; \
-   echo "   module restore cp2k_jureca_cpu_psmp"; \
-   cd tools/toolchain; \
-   rm -rf build; \
-   ./install_cp2k_toolchain.sh --enable-cuda=no --install-all -j32 --no-arch-files --with-gcc=system --with-mpich=system; \
-   cd ../..; \
-   printf "Sourcing ${PWD}/tools/toolchain/install/setup ... "; \
-   source ${PWD}/tools/toolchain/install/setup; \
-   printf "done\n"; \
-   echo "Check the output above for error messages and consistency!"; \
-   echo; \
-   echo "If everything is OK, you can build a CP2K production binary with"; \
-   echo "   make -j ARCH=${this_file%.*} VERSION=${this_file##*.}"; \
-   echo; \
-   echo "Alternatively, you can add further checks, e.g. for regression testing, with"; \
-   echo "   make -j ARCH=${this_file%.*} VERSION=${this_file##*.} DO_CHECKS=yes"; \
-   echo "or build CP2K as a library with"; \
-   echo "   make -j ARCH=${this_file%.*} VERSION=${this_file##*.} libcp2k"; \
-   echo; \
-   return
-
-# Set options
-DO_CHECKS      := no
-SHARED         := no
-TARGET_CPU     := native
-USE_ACC        := no
-USE_COSMA      := 2.6.6
-USE_ELPA       := 2024.03.001
-USE_FFTW       := 3.3.10
-USE_HDF5       := 1.14.2
-USE_LIBINT     := 2.6.0
-USE_LIBPEXSI   := 1.2.0
-USE_LIBTORCH   := 1.12.1
-USE_LIBVORI    := 220621
-USE_LIBXC      := 6.2.2
-USE_LIBXSMM    := 1.17
-USE_OPENBLAS   := 0.3.28
-USE_PLUMED     := 2.9.0
-USE_QUIP       := 0.9.10
-USE_SCALAPACK  := 2.2.1
-USE_SIRIUS     := 7.5.2
-USE_SPGLIB     := 2.3.1
-# Only needed for SIRIUS
-LIBVDWXC_VER   := 0.4.0
-SPFFT_VER      := 1.0.6
-SPLA_VER       := 1.5.5
-# Only needed for LIBPEXSI
-SCOTCH_VER     := 6.0.0
-SUPERLU_VER    := 6.1.0
-
-LMAX           := 5
-MAX_CONTR      := 4
-
-ifeq ($(USE_ACC), yes)
-   GPUVER         := A100
-   OFFLOAD_TARGET := cuda
-   OFFLOAD_CC     := nvcc
-endif
-
-CC             := mpicc
-CXX            := mpicxx
-FC             := mpifort
-LD             := mpifort
-AR             := ar -r
-
-# cc, CC, and ftn include already the proper -march flag
-CFLAGS         := -O2 -fPIC -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g -mtune=$(TARGET_CPU)
-
-DFLAGS         := -D__parallel
-DFLAGS         += -D__MAX_CONTR=$(strip $(MAX_CONTR))
-
-INSTALL_PATH   := $(PWD)/tools/toolchain/install
-
-ifeq ($(SHARED), yes)
-   LD_SHARED      := $(FC) -shared
-   CFLAGS         += -fPIC
-   LDFLAGS        := -Wl,--enable-new-dtags
-   CP2K_LIB       := $(PWD)/lib/$(ARCH)/$(ONEVERSION)
-   LDFLAGS        += -Wl,-rpath=$(CP2K_LIB)
-   LDFLAGS        += -Wl,-rpath=$(CP2K_LIB)/exts/dbcsr
-endif
-
-# Settings for regression testing
-ifeq ($(DO_CHECKS), yes)
-   DFLAGS         += -D__CHECK_DIAG
-#  CFLAGS_DEBUG   := -fsanitize=address
-   CFLAGS_DEBUG   := -fsanitize=leak
-#  FCFLAGS_DEBUG  := -fcheck=bounds,do,recursion,pointer
-   FCFLAGS_DEBUG  += -fcheck=all,no-array-temps
-   FCFLAGS_DEBUG  += -ffpe-trap=invalid,overflow,zero
-   FCFLAGS_DEBUG  += -fimplicit-none
-   FCFLAGS_DEBUG  += -finit-derived
-   FCFLAGS_DEBUG  += -finit-real=snan
-   FCFLAGS_DEBUG  += -finit-integer=-42
-   FCFLAGS_DEBUG  += -finline-matmul-limit=0
-   WFLAGS         := -Werror=aliasing
-   WFLAGS         += -Werror=ampersand
-   WFLAGS         += -Werror=c-binding-type
-   WFLAGS         += -Werror=conversion
-   WFLAGS         += -Werror=intrinsic-shadow
-   WFLAGS         += -Werror=intrinsics-std
-   WFLAGS         += -Werror=line-truncation
-   WFLAGS         += -Wrealloc-lhs
-   WFLAGS         += -Werror=tabs
-   WFLAGS         += -Werror=target-lifetime
-   WFLAGS         += -Werror=underflow
-   WFLAGS         += -Werror=unused-but-set-variable
-   WFLAGS         += -Werror=unused-dummy-argument
-   WFLAGS         += -Werror=unused-variable
-endif
-
-ifeq ($(USE_ACC), yes)
-   DFLAGS         += -D__DBCSR_ACC
-   DFLAGS         += -D__OFFLOAD_CUDA
-# Possibly no performance gain with PW_CUDA currently
-   DFLAGS         += -D__NO_OFFLOAD_PW
-endif
-
-ifneq ($(USE_PLUMED),)
-   USE_PLUMED     := $(strip $(USE_PLUMED))
-   PLUMED_LIB     := $(INSTALL_PATH)/plumed-$(USE_PLUMED)/lib
-   DFLAGS         += -D__PLUMED2
-   USE_GSL        := 2.7
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(PLUMED_LIB) -L$(PLUMED_LIB) -lplumed -lplumedKernel
-   else
-      LIBS           += $(PLUMED_LIB)/libplumed.a
-   endif
-endif
-
-ifneq ($(USE_ELPA),)
-   USE_ELPA       := $(strip $(USE_ELPA))
-   ifeq ($(USE_ACC), yes)
-      TARGET         := nvidia
-      DFLAGS         += -D__ELPA_NVIDIA_GPU
-   else
-      TARGET         := cpu
-   endif
-   ELPA_INC       := $(INSTALL_PATH)/elpa-$(USE_ELPA)/$(TARGET)/include/elpa_openmp-$(USE_ELPA)
-   ELPA_LIB       := $(INSTALL_PATH)/elpa-$(USE_ELPA)/$(TARGET)/lib
-   CFLAGS         += -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules
-   DFLAGS         += -D__ELPA
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(ELPA_LIB) -L$(ELPA_LIB) -lelpa_openmp
-   else
-      LIBS           += $(ELPA_LIB)/libelpa_openmp.a
-   endif
-endif
-
-ifneq ($(USE_QUIP),)
-   USE_QUIP       := $(strip $(USE_QUIP))
-   QUIP_INC       := $(INSTALL_PATH)/quip-$(USE_QUIP)/include
-   QUIP_LIB       := $(INSTALL_PATH)/quip-$(USE_QUIP)/lib
-   CFLAGS         += -I$(QUIP_INC)
-   DFLAGS         += -D__QUIP
-   LIBS           += $(QUIP_LIB)/libquip_core.a
-   LIBS           += $(QUIP_LIB)/libatoms.a
-   LIBS           += $(QUIP_LIB)/libFoX_sax.a
-   LIBS           += $(QUIP_LIB)/libFoX_common.a
-   LIBS           += $(QUIP_LIB)/libFoX_utils.a
-   LIBS           += $(QUIP_LIB)/libFoX_fsys.a
-endif
-
-ifneq ($(USE_LIBPEXSI),)
-   USE_LIBPEXSI   := $(strip $(USE_LIBPEXSI))
-   SCOTCH_VER     := $(strip $(SCOTCH_VER))
-   SUPERLU_VER    := $(strip $(SUPERLU_VER))
-   LIBPEXSI_INC   := $(INSTALL_PATH)/pexsi-$(USE_LIBPEXSI)/include
-   LIBPEXSI_LIB   := $(INSTALL_PATH)/pexsi-$(USE_LIBPEXSI)/lib
-   SCOTCH_INC     := $(INSTALL_PATH)/scotch-$(SCOTCH_VER)/include
-   SCOTCH_LIB     := $(INSTALL_PATH)/scotch-$(SCOTCH_VER)/lib
-   SUPERLU_INC    := $(INSTALL_PATH)/superlu_dist-$(SUPERLU_VER)/include
-   SUPERLU_LIB    := $(INSTALL_PATH)/superlu_dist-$(SUPERLU_VER)/lib
-   CFLAGS         += -I$(LIBPEXSI_INC) -I$(SCOTCH_INC) -I$(SUPERLU_INC)
-   DFLAGS         += -D__LIBPEXSI
-   LIBS           += $(LIBPEXSI_LIB)/libpexsi.a
-   LIBS           += $(SUPERLU_LIB)/libsuperlu_dist.a
-   LIBS           += $(SCOTCH_LIB)/libptscotchparmetis.a
-   LIBS           += $(SCOTCH_LIB)/libptscotch.a
-   LIBS           += $(SCOTCH_LIB)/libptscotcherr.a
-   LIBS           += $(SCOTCH_LIB)/libscotchmetis.a
-   LIBS           += $(SCOTCH_LIB)/libscotch.a
-endif
-
-ifneq ($(USE_LIBVORI),)
-   USE_LIBVORI    := $(strip $(USE_LIBVORI))
-   LIBVORI_LIB    := $(INSTALL_PATH)/libvori-$(USE_LIBVORI)/lib
-   DFLAGS         += -D__LIBVORI
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBVORI_LIB) -L$(LIBVORI_LIB) -lvori
-   else
-      LIBS           += $(LIBVORI_LIB)/libvori.a
-   endif
-endif
-
-ifneq ($(USE_LIBXC),)
-   USE_LIBXC      := $(strip $(USE_LIBXC))
-   LIBXC_INC      := $(INSTALL_PATH)/libxc-$(USE_LIBXC)/include
-   LIBXC_LIB      := $(INSTALL_PATH)/libxc-$(USE_LIBXC)/lib
-   CFLAGS         += -I$(LIBXC_INC)
-   DFLAGS         += -D__LIBXC
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBXC_LIB) -L$(LIBXC_LIB) -lxcf03 -lxc
-   else
-      LIBS           += $(LIBXC_LIB)/libxcf03.a
-      LIBS           += $(LIBXC_LIB)/libxc.a
-   endif
-endif
-
-ifneq ($(USE_LIBINT),)
-   USE_LIBINT     := $(strip $(USE_LIBINT))
-   LMAX           := $(strip $(LMAX))
-   LIBINT_INC     := $(INSTALL_PATH)/libint-v$(USE_LIBINT)-cp2k-lmax-$(LMAX)/include
-   LIBINT_LIB     := $(INSTALL_PATH)/libint-v$(USE_LIBINT)-cp2k-lmax-$(LMAX)/lib
-   CFLAGS         += -I$(LIBINT_INC)
-   DFLAGS         += -D__LIBINT
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBINT_LIB) -L$(LIBINT_LIB) -lint2
-   else
-      LIBS           += $(LIBINT_LIB)/libint2.a
-   endif
-endif
-
-ifneq ($(USE_SPGLIB),)
-   USE_SPGLIB     := $(strip $(USE_SPGLIB))
-   SPGLIB_INC     := $(INSTALL_PATH)/spglib-$(USE_SPGLIB)/include
-   SPGLIB_LIB     := $(INSTALL_PATH)/spglib-$(USE_SPGLIB)/lib
-   CFLAGS         += -I$(SPGLIB_INC)
-   DFLAGS         += -D__SPGLIB
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(SPGLIB_LIB) -L$(SPGLIB_LIB) -lsymspg
-   else
-      LIBS           += $(SPGLIB_LIB)/libsymspg.a
-   endif
-endif
-
-ifneq ($(USE_LIBXSMM),)
-   USE_LIBXSMM    := $(strip $(USE_LIBXSMM))
-   LIBXSMM_INC    := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/include
-   LIBXSMM_LIB    := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/lib
-   CFLAGS         += -I$(LIBXSMM_INC)
-   DFLAGS         += -D__LIBXSMM
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBXSMM_LIB) -L$(LIBXSMM_LIB) -lxsmmf -lxsmm
-   else
-      LIBS           += $(LIBXSMM_LIB)/libxsmmf.a
-      LIBS           += $(LIBXSMM_LIB)/libxsmm.a
-   endif
-endif
-
-ifneq ($(USE_SIRIUS),)
-   USE_SIRIUS     := $(strip $(USE_SIRIUS))
-   LIBVDWXC_VER   := $(strip $(LIBVDWXC_VER))
-   LIBVDWXC_INC   := $(INSTALL_PATH)/libvdwxc-$(LIBVDWXC_VER)/include
-   LIBVDWXC_LIB   := $(INSTALL_PATH)/libvdwxc-$(LIBVDWXC_VER)/lib
-   SPFFT_VER      := $(strip $(SPFFT_VER))
-   SPFFT_INC      := $(INSTALL_PATH)/SpFFT-$(SPFFT_VER)/include
-   SPLA_VER       := $(strip $(SPLA_VER))
-   SPLA_INC       := $(INSTALL_PATH)/SpLA-$(SPLA_VER)/include/spla
-   ifeq ($(USE_ACC), yes)
-      DFLAGS         += -D__OFFLOAD_GEMM
-      SPFFT_LIB      := $(INSTALL_PATH)/SpFFT-$(SPFFT_VER)/lib/cuda
-      SPLA_LIB       := $(INSTALL_PATH)/SpLA-$(SPLA_VER)/lib/cuda
-      SIRIUS_INC     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/include/cuda
-      SIRIUS_LIB     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/lib/cuda
-   else
-      SPFFT_LIB      := $(INSTALL_PATH)/SpFFT-$(SPFFT_VER)/lib
-      SPLA_LIB       := $(INSTALL_PATH)/SpLA-$(SPLA_VER)/lib
-      SIRIUS_INC     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/include
-      SIRIUS_LIB     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/lib
-   endif
-   CFLAGS         += -I$(LIBVDWXC_INC)
-   CFLAGS         += -I$(SPFFT_INC)
-   CFLAGS         += -I$(SPLA_INC)
-   CFLAGS         += -I$(SIRIUS_INC)
-   DFLAGS         += -D__LIBVDWXC
-   DFLAGS         += -D__SPFFT
-   DFLAGS         += -D__SPLA
-   DFLAGS         += -D__SIRIUS
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(SIRIUS_LIB) -L$(SIRIUS_LIB) -lsirius
-      LIBS           += -Wl,-rpath=$(SPLA_LIB) -L$(SPLA_LIB) -lspla
-      LIBS           += -Wl,-rpath=$(SPFFT_LIB) -L$(SPFFT_LIB) -lspfft
-      LIBS           += -Wl,-rpath=$(LIBVDWXC_LIB) -L$(LIBVDWXC_LIB) -lvdwxc
-   else
-      LIBS           += $(SIRIUS_LIB)/libsirius.a
-      LIBS           += $(SPLA_LIB)/libspla.a
-      LIBS           += $(SPFFT_LIB)/libspfft.a
-      LIBS           += $(LIBVDWXC_LIB)/libvdwxc.a
-   endif
-endif
-
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
-      LIBS           += $(HDF5_LIB)/libhdf5_f90cstub.a
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
-ifneq ($(USE_COSMA),)
-   USE_COSMA      := $(strip $(USE_COSMA))
-   ifeq ($(USE_ACC), yes)
-      USE_COSMA      := $(USE_COSMA)-cuda
-   endif
-   COSMA_INC      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/include
-   COSMA_LIB      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/lib
-   CFLAGS         += -I$(COSMA_INC)
-   DFLAGS         += -D__COSMA
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(COSMA_LIB) -L$(COSMA_LIB) -lcosma_prefixed_pxgemm -lcosma -lcosta
-      ifeq ($(USE_ACC), yes)
-         LIBS           += -lTiled-MM
-      endif
-   else
-      LIBS           += $(COSMA_LIB)/libcosma_prefixed_pxgemm.a
-      LIBS           += $(COSMA_LIB)/libcosma.a
-      LIBS           += $(COSMA_LIB)/libcosta.a
-      ifeq ($(USE_ACC), yes)
-         LIBS           += $(COSMA_LIB)/libTiled-MM.a
-      endif
-   endif
-endif
-
-ifneq ($(USE_FFTW),)
-   USE_FFTW       := $(strip $(USE_FFTW))
-   FFTW_INC       := $(INSTALL_PATH)/fftw-$(USE_FFTW)/include
-   FFTW_LIB       := $(INSTALL_PATH)/fftw-$(USE_FFTW)/lib
-   CFLAGS         += -I$(FFTW_INC)
-   DFLAGS         += -D__FFTW3
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(FFTW_LIB) -L$(FFTW_LIB) -lfftw3_mpi -lfftw3_omp -lfftw3
-   else
-      LIBS           += $(FFTW_LIB)/libfftw3_mpi.a
-      LIBS           += $(FFTW_LIB)/libfftw3_omp.a
-      LIBS           += $(FFTW_LIB)/libfftw3.a
-   endif
-endif
-
-ifneq ($(USE_SCALAPACK),)
-   SCALAPACK_LIB  := $(INSTALL_PATH)/scalapack-$(USE_SCALAPACK)/lib
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(SCALAPACK_LIB) -L$(SCALAPACK_LIB) -lscalapack
-   else
-      LIBS           += $(SCALAPACK_LIB)/libscalapack.a
-   endif
-endif
-
-ifneq ($(USE_GSL),)
-   USE_GSL        := $(strip $(USE_GSL))
-   GSL_INC        := $(INSTALL_PATH)/gsl-$(USE_GSL)/include
-   GSL_LIB        := $(INSTALL_PATH)/gsl-$(USE_GSL)/lib
-   CFLAGS         += -I$(GSL_INC)
-   DFLAGS         += -D__GSL
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(GSL_LIB) -L$(GSL_LIB) -lgsl
-   else
-      LIBS           += $(GSL_LIB)/libgsl.a
-   endif
-endif
-
-ifneq ($(USE_OPENBLAS),)
-   USE_OPENBLAS   := $(strip $(USE_OPENBLAS))
-   OPENBLAS_INC   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/include
-   OPENBLAS_LIB   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/lib
-   CFLAGS         += -I$(OPENBLAS_INC)
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(OPENBLAS_LIB) -L$(OPENBLAS_LIB) -lopenblas
-   else
-      LIBS           += $(OPENBLAS_LIB)/libopenblas.a
-   endif
-endif
-
-ifeq ($(shell [ $(shell ldd --version | head -n 1 | tr -s '.' '\n' | tail -n 1) -ge 27 ] && echo yes), yes)
-   ifneq ($(USE_LIBTORCH),)
-      USE_LIBTORCH   := $(strip $(USE_LIBTORCH))
-      LIBTORCH_INC   := $(INSTALL_PATH)/libtorch-$(USE_LIBTORCH)/include
-      LIBTORCH_LIB   := $(INSTALL_PATH)/libtorch-$(USE_LIBTORCH)/lib
-      CFLAGS         += -I$(LIBTORCH_INC)
-      DFLAGS         += -D__LIBTORCH
-      ifeq ($(USE_ACC), yes)
-         LIBS           += -Wl,-rpath=$(LIBTORCH_LIB) -L$(LIBTORCH_LIB) -lc10 -ltorch_cpu -ltorch
-#        LIBS           += -Wl,-rpath=$(LIBTORCH_LIB) -L$(LIBTORCH_LIB) -lc10 -lc10_cuda -ltorch_cpu -ltorch_cuda -ltorch
-      else
-         LIBS           += -Wl,-rpath=$(LIBTORCH_LIB) -L$(LIBTORCH_LIB) -lc10 -ltorch_cpu -ltorch
-      endif
-   endif
-endif
-
-CFLAGS         += $(DFLAGS)
-
-FCFLAGS        := $(CFLAGS)
-ifeq ($(shell [ $(shell gcc -dumpversion | cut -d. -f1) -gt 9 ] && echo yes), yes)
-   FCFLAGS        += -fallow-argument-mismatch
-endif
-FCFLAGS        += -fbacktrace
-FCFLAGS        += -ffree-form
-FCFLAGS        += -ffree-line-length-none
-FCFLAGS        += -fno-omit-frame-pointer
-FCFLAGS        += -std=f2008
-
-ifneq ($(CUDA_HOME),)
-   CFLAGS         += -I$(CUDA_HOME)/include
-   FCFLAGS        += -I$(CUDA_HOME)/include
-   CUDA_LIB       := $(CUDA_HOME)/lib64
-   LDFLAGS        += $(FCFLAGS) -L$(CUDA_LIB) -Wl,-rpath=$(CUDA_LIB)
-else
-   LDFLAGS        += $(FCFLAGS)
-endif
-
-CFLAGS         += $(CFLAGS) -std=c11
-CXXFLAGS       := $(CFLAGS) -std=c++14
-ifeq ($(USE_ACC), yes)
-   OFFLOAD_FLAGS  := $(DFLAGS) -O3 -Xcompiler='-fopenmp' -allow-unsupported-compiler -arch sm_80 -g --std=c++11
-   LIBS           += -lcusolver -lcudart -lnvrtc -lcuda -lcufft -lcublas -lrt
-endif
-
-LIBS           += -lz -ldl -lpthread -lstdc++
-
-# End
diff --git a/arch/JURECA-gpu.psmp b/arch/JURECA-gpu.psmp
deleted file mode 100644
index ec526936a1..0000000000
--- a/arch/JURECA-gpu.psmp
+++ /dev/null
@@ -1,459 +0,0 @@
-#!/bin/bash
-#
-# CP2K arch file for JURECA at FZ Juelich (2 AMD EPYC 7742 CPUs and 4 A100 GPUs per node)
-#
-# Tested with: GNU 11.3.0, ParaStationMPI, 
-#              ScaLAPACK 2.2.1, OpenBLAS 0.3.28,
-#              FFTW 3.3.10, COSMA 2.6.6,
-#              ELPA 2024.03.001, HDF5 1.14.2,
-#              LIBINT 2.6.0, LIBPEXSI 1.2.0,
-#              LIBXC 6.2.2, LIBVORI 220621,
-#              LIBXSMM 1.17, PLUMED 2.9.0,
-#              SIRIUS 7.5.2, SPGLIB 2.3.1
-#
-# Usage: Source this arch file and then run make as instructed.
-#        A full toolchain installation is performed as default.
-#        Replace or adapt the "module add" commands below if needed.
-#
-# Last update: 12.08.2024
-#
-# \
-   if [ "${0}" = "${BASH_SOURCE}" ]; then \
-      echo "ERROR: Script ${0##*/} must be sourced"; \
-      echo "Usage: source ${0##*/}"; \
-      exit 1; \
-   fi; \
-   this_file=${BASH_SOURCE##*/}; \
-   module purge; \
-   module add GCC/11.3.0; \
-   module add ParaStationMPI/5.8.0-1-mt; \
-   module add CUDA/11.7; \
-   module list; \
-   module save cp2k_jureca_gpu_psmp; \
-   echo "To load the required modules in your batch job script, use:"; \
-   echo "   module restore cp2k_jureca_gpu_psmp"; \
-   cd tools/toolchain; \
-   rm -rf build; \
-   ./install_cp2k_toolchain.sh --enable-cuda=yes --gpu-ver=A100 --install-all -j32 --no-arch-files --with-gcc=system --with-mpich=system; \
-   cd ../..; \
-   printf "Sourcing ${PWD}/tools/toolchain/install/setup ... "; \
-   source ${PWD}/tools/toolchain/install/setup; \
-   printf "done\n"; \
-   echo "Check the output above for error messages and consistency!"; \
-   echo; \
-   echo "If everything is OK, you can build a CP2K production binary with"; \
-   echo "   make -j ARCH=${this_file%.*} VERSION=${this_file##*.}"; \
-   echo; \
-   echo "Alternatively, you can add further checks, e.g. for regression testing, with"; \
-   echo "   make -j ARCH=${this_file%.*} VERSION=${this_file##*.} DO_CHECKS=yes"; \
-   echo "or build CP2K as a library with"; \
-   echo "   make -j ARCH=${this_file%.*} VERSION=${this_file##*.} libcp2k"; \
-   echo; \
-   return
-
-# Set options
-DO_CHECKS      := no
-SHARED         := no
-TARGET_CPU     := native
-USE_ACC        := yes
-USE_COSMA      := 2.6.6
-USE_ELPA       := 2024.03.001
-USE_FFTW       := 3.3.10
-USE_HDF5       := 1.14.2
-USE_LIBINT     := 2.6.0
-USE_LIBPEXSI   := 1.2.0
-USE_LIBTORCH   := 1.12.1
-USE_LIBVORI    := 220621
-USE_LIBXC      := 6.2.2
-USE_LIBXSMM    := 1.17
-USE_OPENBLAS   := 0.3.28
-USE_PLUMED     := 2.9.0
-USE_QUIP       := 0.9.10
-USE_SCALAPACK  := 2.2.1
-USE_SIRIUS     := 7.5.2
-USE_SPGLIB     := 2.3.1
-# Only needed for SIRIUS
-LIBVDWXC_VER   := 0.4.0
-SPFFT_VER      := 1.0.6
-SPLA_VER       := 1.5.5
-# Only needed for LIBPEXSI
-SCOTCH_VER     := 6.0.0
-SUPERLU_VER    := 6.1.0
-
-LMAX           := 5
-MAX_CONTR      := 4
-
-ifeq ($(USE_ACC), yes)
-   GPUVER         := A100
-   OFFLOAD_TARGET := cuda
-   OFFLOAD_CC     := nvcc
-endif
-
-CC             := mpicc
-CXX            := mpicxx
-FC             := mpifort
-LD             := mpifort
-AR             := ar -r
-
-# cc, CC, and ftn include already the proper -march flag
-CFLAGS         := -O2 -fPIC -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g -mtune=$(TARGET_CPU)
-
-DFLAGS         := -D__parallel
-DFLAGS         += -D__MAX_CONTR=$(strip $(MAX_CONTR))
-
-INSTALL_PATH   := $(PWD)/tools/toolchain/install
-
-ifeq ($(SHARED), yes)
-   LD_SHARED      := $(FC) -shared
-   CFLAGS         += -fPIC
-   LDFLAGS        := -Wl,--enable-new-dtags
-   CP2K_LIB       := $(PWD)/lib/$(ARCH)/$(ONEVERSION)
-   LDFLAGS        += -Wl,-rpath=$(CP2K_LIB)
-   LDFLAGS        += -Wl,-rpath=$(CP2K_LIB)/exts/dbcsr
-endif
-
-# Settings for regression testing
-ifeq ($(DO_CHECKS), yes)
-   DFLAGS         += -D__CHECK_DIAG
-#  CFLAGS_DEBUG   := -fsanitize=address
-   CFLAGS_DEBUG   := -fsanitize=leak
-#  FCFLAGS_DEBUG  := -fcheck=bounds,do,recursion,pointer
-   FCFLAGS_DEBUG  += -fcheck=all,no-array-temps
-   FCFLAGS_DEBUG  += -ffpe-trap=invalid,overflow,zero
-   FCFLAGS_DEBUG  += -fimplicit-none
-   FCFLAGS_DEBUG  += -finit-derived
-   FCFLAGS_DEBUG  += -finit-real=snan
-   FCFLAGS_DEBUG  += -finit-integer=-42
-   FCFLAGS_DEBUG  += -finline-matmul-limit=0
-   WFLAGS         := -Werror=aliasing
-   WFLAGS         += -Werror=ampersand
-   WFLAGS         += -Werror=c-binding-type
-   WFLAGS         += -Werror=conversion
-   WFLAGS         += -Werror=intrinsic-shadow
-   WFLAGS         += -Werror=intrinsics-std
-   WFLAGS         += -Werror=line-truncation
-   WFLAGS         += -Wrealloc-lhs
-   WFLAGS         += -Werror=tabs
-   WFLAGS         += -Werror=target-lifetime
-   WFLAGS         += -Werror=underflow
-   WFLAGS         += -Werror=unused-but-set-variable
-   WFLAGS         += -Werror=unused-dummy-argument
-   WFLAGS         += -Werror=unused-variable
-endif
-
-ifeq ($(USE_ACC), yes)
-   DFLAGS         += -D__DBCSR_ACC
-   DFLAGS         += -D__OFFLOAD_CUDA
-# Possibly no performance gain with PW_CUDA currently
-   DFLAGS         += -D__NO_OFFLOAD_PW
-endif
-
-ifneq ($(USE_PLUMED),)
-   USE_PLUMED     := $(strip $(USE_PLUMED))
-   PLUMED_LIB     := $(INSTALL_PATH)/plumed-$(USE_PLUMED)/lib
-   DFLAGS         += -D__PLUMED2
-   USE_GSL        := 2.7
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(PLUMED_LIB) -L$(PLUMED_LIB) -lplumed -lplumedKernel
-   else
-      LIBS           += $(PLUMED_LIB)/libplumed.a
-   endif
-endif
-
-ifneq ($(USE_ELPA),)
-   USE_ELPA       := $(strip $(USE_ELPA))
-   ifeq ($(USE_ACC), yes)
-      TARGET         := nvidia
-      DFLAGS         += -D__ELPA_NVIDIA_GPU
-   else
-      TARGET         := cpu
-   endif
-   ELPA_INC       := $(INSTALL_PATH)/elpa-$(USE_ELPA)/$(TARGET)/include/elpa_openmp-$(USE_ELPA)
-   ELPA_LIB       := $(INSTALL_PATH)/elpa-$(USE_ELPA)/$(TARGET)/lib
-   CFLAGS         += -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules
-   DFLAGS         += -D__ELPA
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(ELPA_LIB) -L$(ELPA_LIB) -lelpa_openmp
-   else
-      LIBS           += $(ELPA_LIB)/libelpa_openmp.a
-   endif
-endif
-
-ifneq ($(USE_QUIP),)
-   USE_QUIP       := $(strip $(USE_QUIP))
-   QUIP_INC       := $(INSTALL_PATH)/quip-$(USE_QUIP)/include
-   QUIP_LIB       := $(INSTALL_PATH)/quip-$(USE_QUIP)/lib
-   CFLAGS         += -I$(QUIP_INC)
-   DFLAGS         += -D__QUIP
-   LIBS           += $(QUIP_LIB)/libquip_core.a
-   LIBS           += $(QUIP_LIB)/libatoms.a
-   LIBS           += $(QUIP_LIB)/libFoX_sax.a
-   LIBS           += $(QUIP_LIB)/libFoX_common.a
-   LIBS           += $(QUIP_LIB)/libFoX_utils.a
-   LIBS           += $(QUIP_LIB)/libFoX_fsys.a
-endif
-
-ifneq ($(USE_LIBPEXSI),)
-   USE_LIBPEXSI   := $(strip $(USE_LIBPEXSI))
-   SCOTCH_VER     := $(strip $(SCOTCH_VER))
-   SUPERLU_VER    := $(strip $(SUPERLU_VER))
-   LIBPEXSI_INC   := $(INSTALL_PATH)/pexsi-$(USE_LIBPEXSI)/include
-   LIBPEXSI_LIB   := $(INSTALL_PATH)/pexsi-$(USE_LIBPEXSI)/lib
-   SCOTCH_INC     := $(INSTALL_PATH)/scotch-$(SCOTCH_VER)/include
-   SCOTCH_LIB     := $(INSTALL_PATH)/scotch-$(SCOTCH_VER)/lib
-   SUPERLU_INC    := $(INSTALL_PATH)/superlu_dist-$(SUPERLU_VER)/include
-   SUPERLU_LIB    := $(INSTALL_PATH)/superlu_dist-$(SUPERLU_VER)/lib
-   CFLAGS         += -I$(LIBPEXSI_INC) -I$(SCOTCH_INC) -I$(SUPERLU_INC)
-   DFLAGS         += -D__LIBPEXSI
-   LIBS           += $(LIBPEXSI_LIB)/libpexsi.a
-   LIBS           += $(SUPERLU_LIB)/libsuperlu_dist.a
-   LIBS           += $(SCOTCH_LIB)/libptscotchparmetis.a
-   LIBS           += $(SCOTCH_LIB)/libptscotch.a
-   LIBS           += $(SCOTCH_LIB)/libptscotcherr.a
-   LIBS           += $(SCOTCH_LIB)/libscotchmetis.a
-   LIBS           += $(SCOTCH_LIB)/libscotch.a
-endif
-
-ifneq ($(USE_LIBVORI),)
-   USE_LIBVORI    := $(strip $(USE_LIBVORI))
-   LIBVORI_LIB    := $(INSTALL_PATH)/libvori-$(USE_LIBVORI)/lib
-   DFLAGS         += -D__LIBVORI
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBVORI_LIB) -L$(LIBVORI_LIB) -lvori
-   else
-      LIBS           += $(LIBVORI_LIB)/libvori.a
-   endif
-endif
-
-ifneq ($(USE_LIBXC),)
-   USE_LIBXC      := $(strip $(USE_LIBXC))
-   LIBXC_INC      := $(INSTALL_PATH)/libxc-$(USE_LIBXC)/include
-   LIBXC_LIB      := $(INSTALL_PATH)/libxc-$(USE_LIBXC)/lib
-   CFLAGS         += -I$(LIBXC_INC)
-   DFLAGS         += -D__LIBXC
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBXC_LIB) -L$(LIBXC_LIB) -lxcf03 -lxc
-   else
-      LIBS           += $(LIBXC_LIB)/libxcf03.a
-      LIBS           += $(LIBXC_LIB)/libxc.a
-   endif
-endif
-
-ifneq ($(USE_LIBINT),)
-   USE_LIBINT     := $(strip $(USE_LIBINT))
-   LMAX           := $(strip $(LMAX))
-   LIBINT_INC     := $(INSTALL_PATH)/libint-v$(USE_LIBINT)-cp2k-lmax-$(LMAX)/include
-   LIBINT_LIB     := $(INSTALL_PATH)/libint-v$(USE_LIBINT)-cp2k-lmax-$(LMAX)/lib
-   CFLAGS         += -I$(LIBINT_INC)
-   DFLAGS         += -D__LIBINT
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBINT_LIB) -L$(LIBINT_LIB) -lint2
-   else
-      LIBS           += $(LIBINT_LIB)/libint2.a
-   endif
-endif
-
-ifneq ($(USE_SPGLIB),)
-   USE_SPGLIB     := $(strip $(USE_SPGLIB))
-   SPGLIB_INC     := $(INSTALL_PATH)/spglib-$(USE_SPGLIB)/include
-   SPGLIB_LIB     := $(INSTALL_PATH)/spglib-$(USE_SPGLIB)/lib
-   CFLAGS         += -I$(SPGLIB_INC)
-   DFLAGS         += -D__SPGLIB
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(SPGLIB_LIB) -L$(SPGLIB_LIB) -lsymspg
-   else
-      LIBS           += $(SPGLIB_LIB)/libsymspg.a
-   endif
-endif
-
-ifneq ($(USE_LIBXSMM),)
-   USE_LIBXSMM    := $(strip $(USE_LIBXSMM))
-   LIBXSMM_INC    := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/include
-   LIBXSMM_LIB    := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/lib
-   CFLAGS         += -I$(LIBXSMM_INC)
-   DFLAGS         += -D__LIBXSMM
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(LIBXSMM_LIB) -L$(LIBXSMM_LIB) -lxsmmf -lxsmm
-   else
-      LIBS           += $(LIBXSMM_LIB)/libxsmmf.a
-      LIBS           += $(LIBXSMM_LIB)/libxsmm.a
-   endif
-endif
-
-ifneq ($(USE_SIRIUS),)
-   USE_SIRIUS     := $(strip $(USE_SIRIUS))
-   LIBVDWXC_VER   := $(strip $(LIBVDWXC_VER))
-   LIBVDWXC_INC   := $(INSTALL_PATH)/libvdwxc-$(LIBVDWXC_VER)/include
-   LIBVDWXC_LIB   := $(INSTALL_PATH)/libvdwxc-$(LIBVDWXC_VER)/lib
-   SPFFT_VER      := $(strip $(SPFFT_VER))
-   SPFFT_INC      := $(INSTALL_PATH)/SpFFT-$(SPFFT_VER)/include
-   SPLA_VER       := $(strip $(SPLA_VER))
-   SPLA_INC       := $(INSTALL_PATH)/SpLA-$(SPLA_VER)/include/spla
-   ifeq ($(USE_ACC), yes)
-      DFLAGS         += -D__OFFLOAD_GEMM
-      SPFFT_LIB      := $(INSTALL_PATH)/SpFFT-$(SPFFT_VER)/lib/cuda
-      SPLA_LIB       := $(INSTALL_PATH)/SpLA-$(SPLA_VER)/lib/cuda
-      SIRIUS_INC     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/include/cuda
-      SIRIUS_LIB     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/lib/cuda
-   else
-      SPFFT_LIB      := $(INSTALL_PATH)/SpFFT-$(SPFFT_VER)/lib
-      SPLA_LIB       := $(INSTALL_PATH)/SpLA-$(SPLA_VER)/lib
-      SIRIUS_INC     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/include
-      SIRIUS_LIB     := $(INSTALL_PATH)/sirius-$(USE_SIRIUS)/lib
-   endif
-   CFLAGS         += -I$(LIBVDWXC_INC)
-   CFLAGS         += -I$(SPFFT_INC)
-   CFLAGS         += -I$(SPLA_INC)
-   CFLAGS         += -I$(SIRIUS_INC)
-   DFLAGS         += -D__LIBVDWXC
-   DFLAGS         += -D__SPFFT
-   DFLAGS         += -D__SPLA
-   DFLAGS         += -D__SIRIUS
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(SIRIUS_LIB) -L$(SIRIUS_LIB) -lsirius
-      LIBS           += -Wl,-rpath=$(SPLA_LIB) -L$(SPLA_LIB) -lspla
-      LIBS           += -Wl,-rpath=$(SPFFT_LIB) -L$(SPFFT_LIB) -lspfft
-      LIBS           += -Wl,-rpath=$(LIBVDWXC_LIB) -L$(LIBVDWXC_LIB) -lvdwxc
-   else
-      LIBS           += $(SIRIUS_LIB)/libsirius.a
-      LIBS           += $(SPLA_LIB)/libspla.a
-      LIBS           += $(SPFFT_LIB)/libspfft.a
-      LIBS           += $(LIBVDWXC_LIB)/libvdwxc.a
-   endif
-endif
-
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
-      LIBS           += $(HDF5_LIB)/libhdf5_f90cstub.a
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
-ifneq ($(USE_COSMA),)
-   USE_COSMA      := $(strip $(USE_COSMA))
-   ifeq ($(USE_ACC), yes)
-      USE_COSMA      := $(USE_COSMA)-cuda
-   endif
-   COSMA_INC      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/include
-   COSMA_LIB      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/lib
-   CFLAGS         += -I$(COSMA_INC)
-   DFLAGS         += -D__COSMA
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(COSMA_LIB) -L$(COSMA_LIB) -lcosma_prefixed_pxgemm -lcosma -lcosta
-      ifeq ($(USE_ACC), yes)
-         LIBS           += -lTiled-MM
-      endif
-   else
-      LIBS           += $(COSMA_LIB)/libcosma_prefixed_pxgemm.a
-      LIBS           += $(COSMA_LIB)/libcosma.a
-      LIBS           += $(COSMA_LIB)/libcosta.a
-      ifeq ($(USE_ACC), yes)
-         LIBS           += $(COSMA_LIB)/libTiled-MM.a
-      endif
-   endif
-endif
-
-ifneq ($(USE_FFTW),)
-   USE_FFTW       := $(strip $(USE_FFTW))
-   FFTW_INC       := $(INSTALL_PATH)/fftw-$(USE_FFTW)/include
-   FFTW_LIB       := $(INSTALL_PATH)/fftw-$(USE_FFTW)/lib
-   CFLAGS         += -I$(FFTW_INC)
-   DFLAGS         += -D__FFTW3
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(FFTW_LIB) -L$(FFTW_LIB) -lfftw3_mpi -lfftw3_omp -lfftw3
-   else
-      LIBS           += $(FFTW_LIB)/libfftw3_mpi.a
-      LIBS           += $(FFTW_LIB)/libfftw3_omp.a
-      LIBS           += $(FFTW_LIB)/libfftw3.a
-   endif
-endif
-
-ifneq ($(USE_SCALAPACK),)
-   SCALAPACK_LIB  := $(INSTALL_PATH)/scalapack-$(USE_SCALAPACK)/lib
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(SCALAPACK_LIB) -L$(SCALAPACK_LIB) -lscalapack
-   else
-      LIBS           += $(SCALAPACK_LIB)/libscalapack.a
-   endif
-endif
-
-ifneq ($(USE_GSL),)
-   USE_GSL        := $(strip $(USE_GSL))
-   GSL_INC        := $(INSTALL_PATH)/gsl-$(USE_GSL)/include
-   GSL_LIB        := $(INSTALL_PATH)/gsl-$(USE_GSL)/lib
-   CFLAGS         += -I$(GSL_INC)
-   DFLAGS         += -D__GSL
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(GSL_LIB) -L$(GSL_LIB) -lgsl
-   else
-      LIBS           += $(GSL_LIB)/libgsl.a
-   endif
-endif
-
-ifneq ($(USE_OPENBLAS),)
-   USE_OPENBLAS   := $(strip $(USE_OPENBLAS))
-   OPENBLAS_INC   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/include
-   OPENBLAS_LIB   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/lib
-   CFLAGS         += -I$(OPENBLAS_INC)
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath=$(OPENBLAS_LIB) -L$(OPENBLAS_LIB) -lopenblas
-   else
-      LIBS           += $(OPENBLAS_LIB)/libopenblas.a
-   endif
-endif
-
-ifeq ($(shell [ $(shell ldd --version | head -n 1 | tr -s '.' '\n' | tail -n 1) -ge 27 ] && echo yes), yes)
-   ifneq ($(USE_LIBTORCH),)
-      USE_LIBTORCH   := $(strip $(USE_LIBTORCH))
-      LIBTORCH_INC   := $(INSTALL_PATH)/libtorch-$(USE_LIBTORCH)/include
-      LIBTORCH_LIB   := $(INSTALL_PATH)/libtorch-$(USE_LIBTORCH)/lib
-      CFLAGS         += -I$(LIBTORCH_INC)
-      DFLAGS         += -D__LIBTORCH
-      ifeq ($(USE_ACC), yes)
-         LIBS           += -Wl,-rpath=$(LIBTORCH_LIB) -L$(LIBTORCH_LIB) -lc10 -ltorch_cpu -ltorch
-#        LIBS           += -Wl,-rpath=$(LIBTORCH_LIB) -L$(LIBTORCH_LIB) -lc10 -lc10_cuda -ltorch_cpu -ltorch_cuda -ltorch
-      else
-         LIBS           += -Wl,-rpath=$(LIBTORCH_LIB) -L$(LIBTORCH_LIB) -lc10 -ltorch_cpu -ltorch
-      endif
-   endif
-endif
-
-CFLAGS         += $(DFLAGS)
-
-FCFLAGS        := $(CFLAGS)
-ifeq ($(shell [ $(shell gcc -dumpversion | cut -d. -f1) -gt 9 ] && echo yes), yes)
-   FCFLAGS        += -fallow-argument-mismatch
-endif
-FCFLAGS        += -fbacktrace
-FCFLAGS        += -ffree-form
-FCFLAGS        += -ffree-line-length-none
-FCFLAGS        += -fno-omit-frame-pointer
-FCFLAGS        += -std=f2008
-
-ifneq ($(CUDA_HOME),)
-   CFLAGS         += -I$(CUDA_HOME)/include
-   FCFLAGS        += -I$(CUDA_HOME)/include
-   CUDA_LIB       := $(CUDA_HOME)/lib64
-   LDFLAGS        += $(FCFLAGS) -L$(CUDA_LIB) -Wl,-rpath=$(CUDA_LIB)
-else
-   LDFLAGS        += $(FCFLAGS)
-endif
-
-CFLAGS         += $(CFLAGS) -std=c11
-CXXFLAGS       := $(CFLAGS) -std=c++14
-ifeq ($(USE_ACC), yes)
-   OFFLOAD_FLAGS  := $(DFLAGS) -O3 -Xcompiler='-fopenmp' -allow-unsupported-compiler -arch sm_80 -g --std=c++11
-   LIBS           += -lcusolver -lcudart -lnvrtc -lcuda -lcufft -lcublas -lrt
-endif
-
-LIBS           += -lz -ldl -lpthread -lstdc++
-
-# End