diff --git a/Makefile b/Makefile
deleted file mode 100644
index 427c7dc683..0000000000
--- a/Makefile
+++ /dev/null
@@ -1,576 +0,0 @@
-#
-# make -j 16 ssmp psmp
-#
-# will now perform a parallel build of 4 cp2k executables
-#
-SHELL = /bin/sh
-#
-# the home dir is taken from the current directory.
-ifeq ($(CP2KHOME),)
-CP2KHOME     := $(abspath $(shell pwd))
-export CP2KHOME
-endif
-
-ARCH         := local
-export VERSION=ssmp
-
-MAKEFILE     := $(CP2KHOME)/Makefile
-ARCHDIR      := $(CP2KHOME)/arch
-DATA_DIR     := $(CP2KHOME)/data
-MAINEXEDIR   := $(CP2KHOME)/exe
-MAINLIBDIR   := $(CP2KHOME)/lib
-MAINOBJDIR   := $(CP2KHOME)/obj
-MAINTSTDIR   := $(CP2KHOME)/regtesting
-PRECOMMITDIR := $(CP2KHOME)/obj/precommit
-PRETTYOBJDIR := $(CP2KHOME)/obj/prettified
-DOXIFYOBJDIR := $(CP2KHOME)/obj/doxified
-TOOLSRC      := $(CP2KHOME)/tools
-SRCDIR       := $(CP2KHOME)/src
-EXEDIR       := $(MAINEXEDIR)/$(ARCH)
-REVISION     := $(shell $(CP2KHOME)/tools/build_utils/get_revision_number $(SRCDIR))
-
-EXTSDIR      := exts
-EXTSHOME     := $(CP2KHOME)/$(EXTSDIR)
-EXTSPACKAGES := $(shell cd $(EXTSHOME) ; find * -maxdepth 0 -type d | grep -v build_ )
-
-PYTHON       := /usr/bin/env python3
-
-# Common Targets ============================================================
-default_target: all
-
-# Discover programs =========================================================
-ifeq ($(ALL_EXE_FILES),)
-export ALL_EXE_FILES := $(sort $(shell $(TOOLSRC)/build_utils/discover_programs.py $(SRCDIR)))
-endif
-EXE_NAMES := $(basename $(notdir $(ALL_EXE_FILES)))
-
-# Once we are down to a single version ======================================
-# this only happens on stage 3 and 4
-ifneq ($(ONEVERSION),)
-MODDEPS = "lower"
-include $(ARCHDIR)/$(ARCH).$(ONEVERSION)
-LIBDIR  := $(MAINLIBDIR)/$(ARCH)/$(ONEVERSION)
-PKGCONFIGDIR  := $(LIBDIR)/pkgconfig
-PKGCONFIG  := $(PKGCONFIGDIR)/libcp2k.pc
-LIBEXTSDIR := $(LIBDIR)/$(EXTSDIR)
-OBJDIR  := $(MAINOBJDIR)/$(ARCH)/$(ONEVERSION)
-OBJEXTSDIR := $(OBJDIR)/$(EXTSDIR)
-OBJEXTSINCL := $(foreach dir,$(EXTSPACKAGES),-I'$(OBJEXTSDIR)/$(dir)')
-TSTDIR     := $(MAINTSTDIR)/$(ARCH)/$(ONEVERSION)
-ifneq ($(LD_SHARED),)
-	ARCHIVE_EXT := .so
-else
-	ARCHIVE_EXT := .a
-endif
-include $(EXTSHOME)/Makefile.inc
-endif
-
-# Declare PHONY targets =====================================================
-.PHONY: $(VERSION) $(EXE_NAMES) \
-        dirs makedep default_target all \
-        toolversions exts extversions extclean \
-        libcp2k cp2k_shell pkgconfig python-bindings \
-        pre-commit pre-commit-clean \
-        pretty precommit precommitclean doxygenclean doxygen \
-        fpretty fprettyclean \
-        doxify doxifyclean \
-        install clean realclean distclean help \
-        test testbg testclean \
-        data \
-        $(EXTSPACKAGES)
-
-# Discover files and directories ============================================
-#
-# File type is derived from name. Only the following extensions are supported:
-#   .F    ->  Fortran
-#   .c    ->  C
-#   .h    ->  C header
-#   .cu   ->  CUDA or HIP kernel
-
-ALL_SRC_DIRS := $(shell find $(SRCDIR) -type d | awk '{printf("%s:",$$1)}')
-ALL_PKG_FILES  = $(shell find $(SRCDIR) -name "PACKAGE")
-OBJ_SRC_FILES  = $(shell cd $(SRCDIR); find . -name "*.F")
-OBJ_SRC_FILES += $(shell cd $(SRCDIR); find . -name "*.c")
-
-ifneq ($(filter nvcc hipcc, $(notdir $(OFFLOAD_CC))),)
-OBJ_SRC_FILES += $(shell cd $(SRCDIR); find . -name "*.cu")
-endif
-
-# Begrudgingly tolerated because PyTorch has no C API.
-OBJ_SRC_FILES += $(SRCDIR)/torch_c_api.cpp
-#same as PyTorch
-OBJ_SRC_FILES += $(SRCDIR)/ace_c_api.cpp
-
-# Included files used by Fypp preprocessor
-INCLUDED_SRC_FILES = $(notdir $(shell find $(SRCDIR) -name "*.fypp"))
-
-# Include also source files which won't compile into an object file
-ALL_SRC_FILES  = $(strip $(subst $(NULL) .,$(NULL) $(SRCDIR),$(NULL) $(OBJ_SRC_FILES)))
-ALL_SRC_FILES += $(shell find $(SRCDIR) -name "*.h")
-
-ALL_OBJECTS        = $(addsuffix .o, $(basename $(notdir $(OBJ_SRC_FILES))))
-ALL_EXE_OBJECTS    = $(addsuffix .o, $(EXE_NAMES))
-ALL_NONEXE_OBJECTS = $(filter-out $(ALL_EXE_OBJECTS), $(ALL_OBJECTS))
-
-# stage 1: Call make recursively with each element in $(VERSION) as a target,
-#          The actual target is stored in ORIG_TARGET.
-#          Make can then parallelize over multiple versions targets.
-ifeq ($(ONEVERSION),)
-ORIG_TARGET = default_target
-
-fes:
-	@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(VERSION) ORIG_TARGET=graph
-
-$(EXE_NAMES) all toolversions extversions extclean libcp2k cp2k_shell exts $(EXTSPACKAGES) python-bindings test testbg:
-	@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(VERSION) ORIG_TARGET=$@
-
-# stage 2: Store the version target in $(ONEVERSION),
-#          Call make recursively with $(ORIG_TARGET) as target.
-$(filter-out sopt, popt, $(VERSION)):
-	@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(ORIG_TARGET) ORIG_TARGET="" VERSION="" ONEVERSION=$@
-
-sopt:
-	@+echo "Version sopt is now an alias for ssmp with OMP_NUM_THREADS=1."
-	@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(ORIG_TARGET) ORIG_TARGET="" VERSION="" ONEVERSION="ssmp"
-popt:
-	@+echo "Version popt is now an alias for psmp with OMP_NUM_THREADS=1."
-	@+$(MAKE) --no-print-directory -f $(MAKEFILE) $(ORIG_TARGET) ORIG_TARGET="" VERSION="" ONEVERSION="psmp"
-
-else
-
-# stage 3: Include arch-file, create dirs, and run makedep.py for given $(ONEVERSION).
-#          Afterwards, call make recursively again with -C $(OBJDIR) and INCLUDE_DEPS=true
-ifeq ($(INCLUDE_DEPS),)
-$(EXE_NAMES): makedep | dirs exts
-	@+$(MAKE) --no-print-directory -C $(OBJDIR) -f $(MAKEFILE) $(EXEDIR)/$@.$(ONEVERSION) INCLUDE_DEPS=true
-
-all: makedep | dirs exts
-	@+$(MAKE) --no-print-directory -C $(OBJDIR) -f $(MAKEFILE) all INCLUDE_DEPS=true
-
-# compilation for testing happens here
-test: dirs makedep all
-	@$(TOOLSRC)/regtesting/print_environment.sh $(ARCH) $(ONEVERSION)
-	@+$(MAKE) --no-print-directory -C $(TSTDIR) -f $(MAKEFILE) test INCLUDE_DEPS=true
-
-testbg: dirs makedep all
-	@+$(MAKE) --no-print-directory -C $(TSTDIR) -f $(MAKEFILE) testbg INCLUDE_DEPS=true
-
-libcp2k: pkgconfig makedep | dirs exts
-	@+$(MAKE) --no-print-directory -C $(OBJDIR) -f $(MAKEFILE) $(LIBDIR)/libcp2k$(ARCHIVE_EXT) INCLUDE_DEPS=true
-
-python-bindings: libcp2k
-	@cd $(SRCDIR)/start/python ; \
-        env CC='$(CC)' LDSHARED='$(LD) -shared' CFLAGS='$(CFLAGS)' LDFLAGS='$(LDFLAGS) $(LDFLAGS_C) $(LIBS)' \
-        $(PYTHON) setup.py build_ext \
-        --build-temp="$(OBJDIR)/python" \
-        --build-lib="$(LIBDIR)/python" \
-        --library-dirs="$(LIBDIR)" \
-        --libraries="$(patsubst -l%,%,$(filter -l%,$(LIBS)))"
-
-exts: $(EXTSPACKAGES)
-
-dirs:
-	@mkdir -p $(OBJDIR)
-	@mkdir -p $(OBJEXTSDIR)
-	@mkdir -p $(LIBDIR)
-	@mkdir -p $(PKGCONFIGDIR)
-	@mkdir -p $(LIBEXTSDIR)
-	@mkdir -p $(EXEDIR)
-	@mkdir -p $(TSTDIR)
-
-pkgconfig: dirs
-	@echo "Writing pkg-config $(PKGCONFIG)"
-	@echo "Name: libcp2k" > $(PKGCONFIG)
-	@echo "Description: CP2K as a library" >> $(PKGCONFIG)
-	@echo "URL: https://www.cp2k.org" >> $(PKGCONFIG)
-	@echo "Version: $(REVISION)" >> $(PKGCONFIG)
-	@echo "includedir=$(SRCDIR)/start" >> $(PKGCONFIG)
-	@echo "Cflags: -I\$${includedir}" >> $(PKGCONFIG)
-	@echo "libdir=$(LIBDIR)" >> $(PKGCONFIG)
-	@echo "Libs: -L\$${libdir} -Wl,-rpath=\$${libdir} -lcp2k $(LDFLAGS) $(LIBS)" >> $(PKGCONFIG)
-
-toolversions:
-ifneq ($(FC),)
-	@echo "=========== FC ($(ONEVERSION)) ==========="
-ifeq (Cray,$(shell $(CC) -V 2>&1 | head -n1 | cut -d' ' -f1))
-	$(FC) -V
-else ifeq (IBM,$(shell $(CC) -qversion 2>&1 | head -n1 | cut -d' ' -f1))
-	$(FC) -qversion
-else
-	$(FC) --version
-endif
-endif
-ifneq ($(CC),)
-	@echo "=========== CC ($(ONEVERSION)) ==========="
-ifeq (Cray,$(shell $(CC) -V 2>&1 | head -n1 | cut -d' ' -f1))
-	$(CC) -V
-else ifeq (IBM,$(shell $(CC) -qversion 2>&1 | head -n1 | cut -d' ' -f1))
-	$(CC) -qversion
-else
-	$(CC) --version
-endif
-endif
-ifneq ($(OFFLOAD_CC),)
-	@echo "========== OFFLOAD_CC ($(ONEVERSION)) =========="
-	$(OFFLOAD_CC) --version
-	@echo ""
-endif
-ifneq ($(AR),)
-ifeq (Linux,$(shell uname -s))
-	@echo "=========== AR ($(ONEVERSION)) ==========="
-	$(firstword $(AR)) V
-	@echo ""
-endif
-endif
-	@echo "========== Make ($(ONEVERSION)) =========="
-	$(MAKE) --version
-	@echo ""
-	@echo "========= Python ($(ONEVERSION)) ========="
-	$(PYTHON) --version
-
-else
-
-# Force CP2K recompilations if exts are updated
-$(ALL_OBJECTS): $(EXTSDEPS_MOD)
-$(ALL_EXE_OBJECTS): $(EXTSDEPS_LIB)
-
-# stage 4: Include $(OBJDIR)/all.dep, expand target all and libcp2k, and perform actual build.
-
-ifeq ("$(ONEVERSION)","psmp")
-all: $(foreach e, $(EXE_NAMES) cp2k_shell, $(EXEDIR)/$(e).$(ONEVERSION)) $(EXEDIR)/cp2k.popt
-else ifeq ("$(ONEVERSION)","ssmp")
-all: $(foreach e, $(EXE_NAMES) cp2k_shell, $(EXEDIR)/$(e).$(ONEVERSION)) $(EXEDIR)/cp2k.sopt
-else
-all: $(foreach e, $(EXE_NAMES) cp2k_shell, $(EXEDIR)/$(e).$(ONEVERSION))
-endif
-$(LIBDIR)/libcp2k$(ARCHIVE_EXT) : $(ALL_NONEXE_OBJECTS)
-
-# Create always a cp2k.[ps]opt soft link for each cp2k.[ps]smp executable
-$(EXEDIR)/cp2k.sopt: $(EXEDIR)/cp2k.ssmp
-	cd $(EXEDIR); ln -sf cp2k.ssmp cp2k.sopt
-$(EXEDIR)/cp2k.popt: $(EXEDIR)/cp2k.psmp
-	cd $(EXEDIR); ln -sf cp2k.psmp cp2k.popt
-
-$(EXEDIR)/cp2k_shell.$(ONEVERSION): $(EXEDIR)/cp2k.$(ONEVERSION)
-	cd $(EXEDIR); ln -sf cp2k.$(ONEVERSION) cp2k_shell.$(ONEVERSION)
-
-test:
-	@$(CP2KHOME)/tests/do_regtest.py --workbasedir $(TSTDIR) $(EXEDIR) $(ONEVERSION) $(TESTOPTS)
-
-testbg:
-	@echo "testing: $(ONEVERSION) : full log in $(TSTDIR)/regtest.log "
-	@$(CP2KHOME)/tests/do_regtest.py --workbasedir $(TSTDIR) $(EXEDIR) $(ONEVERSION) $(TESTOPTS) > $(TSTDIR)/regtest.log 2>&1
-	@grep -e "Summary:" -e "Status:" $(TSTDIR)/regtest.log
-
-endif
-endif
-
-OTHER_HELP += "test : run the regression tests"
-OTHER_HELP += "testbg : run the regression tests in background"
-
-OTHER_HELP += "toolversions : Print versions of build tools"
-
-OTHER_HELP += "extversions : Print versions of external modules"
-OTHER_HELP += "extclean : Clean build of external modules"
-
-#   extract help text from doxygen "\brief"-tag
-help:
-	@echo "=================== Binaries ===================="
-	@echo "all                         Builds all executables (default target)"
-	@for i in $(ALL_EXE_FILES); do \
-        basename  $$i | sed 's/^\(.*\)\..*/\1/' | awk '{printf "%-28s", $$1}'; \
-        grep "brief" $$i | head -n 1 | sed 's/^.*\\brief\s*//'; \
-        done
-	@echo "libcp2k                     Builds CP2K as a single library archive"
-	@echo "cp2k_shell                  Creates symlink for backward compatibility"
-	@echo ""
-	@echo "===================== Tools ====================="
-	@printf "%s\n" $(TOOL_HELP) | awk -F ':' '{printf "%-28s%s\n", $$1, $$2}'
-	@echo ""
-	@echo "================= Other Targets ================="
-	@printf "%s\n" $(OTHER_HELP) | awk -F ':' '{printf "%-28s%s\n", $$1, $$2}'
-	@echo "help                         Print this help text"
-
-#
-# so far CP2K does not install, but give a hint to the user
-#
-install:
-	@echo ""
-	@echo "The CP2K executable is $(foreach v, $(VERSION), $(EXEDIR)/cp2k.$(v))"
-	@echo ""
-OTHER_HELP += "install : Print installation help"
-
-#
-# delete the intermediate files, but not the libraries and executables, or created directories.
-# Most useful to save space on the disk or e.g. for recompiles with PGO that still needs the .gcda files in the objdir
-#
-# To avoid printing out all non-gcda files within a directory with 'make clean',
-# a list of all non-gcda file extensions within a directory is first created with the get_extensions macro,
-# and a wildcard expression is then used to remove the appropriate files
-# cleaning stuff ============================================================
-define get_extensions
-	$(shell test -d $(1) && find $(1) -type f -name "*.*" ! -name "*.gcda" | sed 's|.*\.||' | sort -u)
-endef
-clean:
-	@echo rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(ARCH)/$(v))
-	@$(foreach v, $(VERSION), $(foreach ext, $(call get_extensions, $(MAINOBJDIR)/$(ARCH)/$(v)/), $(shell rm -rf $(MAINOBJDIR)/$(ARCH)/$(v)/*.$(ext))))
-	rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(ARCH)/$(v))
-OTHER_HELP += "clean : Remove intermediate object and mod files, but not the libraries and executables, for given ARCH and VERSION"
-
-# The Intel compiler creates a corresponding .dbg file for each executable when static linking of the Intel MPI library is requested (flag -static_mpi)
-# and also potential soft links (.popt and .sopt files) have to be cleaned
-execlean:
-	rm -rf $(foreach v, $(VERSION), $(EXEDIR)/*.$(v) $(EXEDIR)/*.$(v).dbg) $(EXEDIR)/cp2k.[ps]opt
-OTHER_HELP += "execlean : Remove the executables, for given ARCH and VERSION"
-
-#
-# delete the intermediate files, the programs and libraries and anything that might be in the objdir or libdir directory
-# Use this if you want to fully rebuild an executable (for a given compiler and or VERSION)
-#
-realclean: extclean clean execlean
-	rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(ARCH)/$(v))
-	rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(ARCH)/$(v))
-OTHER_HELP += "realclean : Remove all files for given ARCH and VERSION"
-
-testclean:
-	rm -rf $(foreach v, $(VERSION), $(MAINTSTDIR)/$(ARCH)/$(v)/TEST-* $(MAINTSTDIR)/$(ARCH)/$(v)/regtest.log)
-OTHER_HELP += "testclean : Remove all TEST-* files for given ARCH and VERSION"
-
-#
-# Remove all files from previous builds
-#
-distclean: precommitclean fprettyclean doxifyclean
-	rm -rf $(DOXYGENDIR) $(MAINEXEDIR) $(MAINOBJDIR) $(MAINLIBDIR) $(MAINTSTDIR)
-OTHER_HELP += "distclean : Remove all files from previous builds"
-
-# Prettyfier stuff ==========================================================
-vpath %.pretty $(PRETTYOBJDIR)
-
-fpretty: $(addprefix $(PRETTYOBJDIR)/, $(ALL_OBJECTS:.o=.pretty)) $(addprefix $(PRETTYOBJDIR)/, $(INCLUDED_SRC_FILES:.f90=.pretty_included))
-TOOL_HELP += "fpretty : Reformat all Fortran source files in a pretty way."
-
-fprettyclean:
-	-rm -rf $(PRETTYOBJDIR)
-TOOL_HELP += "fprettyclean : Remove prettify marker files and preprettify directories"
-
-$(PRETTYOBJDIR)/%.pretty: %.F $(DOXIFYOBJDIR)/%.doxified
-	@mkdir -p $(PRETTYOBJDIR)
-	cd $(dir $<); $(TOOLSRC)/precommit/format_fortran.py --do-backup --backup-dir=$(PRETTYOBJDIR) $(notdir $<)
-	@touch $@
-
-$(PRETTYOBJDIR)/%.pretty_included: %.f90 $(DOXIFYOBJDIR)/%.doxified_included
-	@mkdir -p $(PRETTYOBJDIR)
-	cd $(dir $<); $(TOOLSRC)/precommit/format_fortran.py --do-backup --backup-dir=$(PRETTYOBJDIR) $(notdir $<)
-	@touch $@
-
-$(PRETTYOBJDIR)/%.pretty: %.c $(DOXIFYOBJDIR)/%.doxified
-#   TODO: call indent here?
-	@mkdir -p $(PRETTYOBJDIR)
-	@touch $@
-
-$(PRETTYOBJDIR)/%.pretty: %.cpp $(DOXIFYOBJDIR)/%.doxified
-#   TODO: call indent here?
-	@mkdir -p $(PRETTYOBJDIR)
-	@touch $@
-
-# Doxyifier stuff ===========================================================
-vpath %.doxified $(DOXIFYOBJDIR)
-
-doxify: $(addprefix $(DOXIFYOBJDIR)/, $(ALL_OBJECTS:.o=.doxified)) $(addprefix $(DOXIFYOBJDIR)/, $(INCLUDED_SRC_FILES:.f90=.doxified_included))
-TOOL_HELP += "doxify : Autogenerate doxygen headers for subroutines"
-
-doxifyclean:
-	-rm -rf $(DOXIFYOBJDIR)
-TOOL_HELP += "doxifyclean : Remove doxify marker files"
-
-$(DOXIFYOBJDIR)/%.doxified: %.F
-	$(TOOLSRC)/doxify/doxify.sh $<
-	@mkdir -p $(DOXIFYOBJDIR)
-	@touch $@
-
-$(DOXIFYOBJDIR)/%.doxified_included: %.f90
-	$(TOOLSRC)/doxify/doxify.sh $<
-	@mkdir -p $(DOXIFYOBJDIR)
-	@touch $@
-
-$(DOXIFYOBJDIR)/%.doxified: %.c
-	@mkdir -p $(DOXIFYOBJDIR)
-	@touch $@
-
-$(DOXIFYOBJDIR)/%.doxified: %.cpp
-	@mkdir -p $(DOXIFYOBJDIR)
-	@touch $@
-
-# doxygen stuff =============================================================
-doxygenclean:
-	-rm -rf $(CP2KHOME)/doxygen
-TOOL_HELP += "doxygenclean : Remove the generated doxygen documentation"
-
-doxygen: doxygenclean
-	$(TOOLSRC)/doxify/generate_doxygen.sh
-TOOL_HELP += "doxygen : Generate the doxygen documentation"
-
-# Precommit stuff ===========================================================
-pretty: precommit
-TOOL_HELP += "pretty : Alias for precommit."
-
-precommit:
-	$(TOOLSRC)/precommit/precommit.py --allow-modifications
-TOOL_HELP += "precommit : Run precommit checks."
-
-precommitclean:
-	-rm -rf $(PRECOMMITDIR)
-TOOL_HELP += "precommitclean : Remove temporary files from precommit checks."
-
-# pre-commit script for manual execution ====================================
-
-pre-commit:
-	@$(TOOLSRC)/pre-commit-install.sh
-	@$(CP2KHOME)/.pre-commit-env/bin/pre-commit run -a
-
-TOOL_HELP += "pre-commit : Install pre-commit tools, register git hooks and run a full pre-commit check"
-
-pre-commit-clean:
-	-@$(CP2KHOME)/.pre-commit-env/bin/pre-commit uninstall
-	-@$(CP2KHOME)/.pre-commit-env/bin/pre-commit clean
-	-rm -rf $(CP2KHOME)/.pre-commit-env
-TOOL_HELP += "pre-commit-clean : Uninstall git hooks, drop the pre-commit tool cache and remove its environment"
-
-# data stuff ================================================================
-data: data/POTENTIAL
-	@:
-
-data/POTENTIAL: data/GTH_POTENTIALS data/HF_POTENTIALS data/NLCC_POTENTIALS data/ALL_POTENTIALS
-	@echo "(re-)generating $@ ..."
-	@cat $^ > $@
-
-OTHER_HELP += "data : (re-)generate merged data files (e.g. data/POTENTIALS)"
-
-# automatic dependency generation ===========================================
-MAKEDEPMODE = "normal"
-ifeq ($(HACKDEP),yes)
-MAKEDEPMODE = "hackdep"
-else
-	ifneq ($(MC),)
-	MAKEDEPMODE = "mod_compiler"
-	endif
-endif
-
-# this happens on stage 3
-makedep: $(ALL_SRC_FILES) $(ALL_PKG_FILES) dirs
-ifeq ($(LD_SHARED),)
-	@echo "Removing stale archives for $(ONEVERSION) ... "
-	@$(TOOLSRC)/build_utils/check_archives.py $(firstword $(AR)) $(SRCDIR) $(LIBDIR)
-endif
-	@echo "Resolving dependencies for $(ONEVERSION) ... "
-	@$(TOOLSRC)/build_utils/makedep.py $(OBJDIR)/all.dep cp2k $(MODDEPS) $(MAKEDEPMODE) $(ARCHIVE_EXT) $(SRCDIR) $(OBJ_SRC_FILES)
-
-# on stage 4, load the rules generated by makedep.py
-ifeq ($(INCLUDE_DEPS), true)
-include $(OBJDIR)/all.dep
-endif
-
-
-# ================= Stuff need for compiling (stage 4) ======================
-# These rules are executed in a recursive call to make -C $(OBJDIR)
-# The change of $(CURDIR) allows to find targets without abs paths and vpaths.
-
-
-### Slave rules ###
-vpath %.F     $(ALL_SRC_DIRS)
-vpath %.h     $(ALL_SRC_DIRS)
-vpath %.f90   $(ALL_SRC_DIRS)
-vpath %.cu    $(ALL_SRC_DIRS)
-vpath %.c     $(ALL_SRC_DIRS)
-vpath %.cpp   $(ALL_SRC_DIRS)
-
-#
-# Add additional dependency of cp2k_info.F to git-HEAD.
-# Ensuring that cp2k prints the correct source code revision number in its banner.
-#
-GIT_REF := ${MAINOBJDIR}/git-ref
-
-# use a force (fake) target to always rebuild this file but have Make consider this updated
-# iff it was actually rewritten (a .PHONY target is always considered new)
-$(GIT_REF): FORCE
-	echo $(REVISION) > "$@.tmp"
-	@cmp "$@.tmp" "$@" || mv -f "$@.tmp" "$@"
-
-FORCE: ;
-
-cp2k_info.o: $(GIT_REF)
-
-# Add some practical metadata about the build.
-FCFLAGS += -D__COMPILE_ARCH="\"$(ARCH)\""\
-        -D__COMPILE_DATE="\"$(shell date)\""\
-        -D__COMPILE_HOST="\"$(shell hostname 2>/dev/null || hostnamectl --transient)\""\
-        -D__COMPILE_REVISION="\"$(strip $(REVISION))\""
-CFLAGS +=  -D__DATA_DIR="\"$(DATA_DIR)\""
-
-# $(FCLOGPIPE) can be used to store compiler output, e.g. warnings, for each F-file separately.
-# This is used e.g. by the convention checker.
-
-FYPPFLAGS ?= -n
-
-%.o: %.F
-	$(TOOLSRC)/build_utils/fypp $(FYPPFLAGS) $< $*.F90
-	$(FC) -c $(FCFLAGS) -D__SHORT_FILE__="\"$(subst $(SRCDIR)/,,$<)\"" -I'$(dir $<)' $(OBJEXTSINCL) $*.F90 $(FCLOGPIPE)
-
-%.o: %.c
-	$(CC) -c $(CFLAGS) $<
-
-%.o: %.cu
-	$(OFFLOAD_CC) -c $(OFFLOAD_FLAGS) $<
-
-# Disable built-in rules for C++.
-%.o: %.cc
-	@echo "Error: C++ is not supported: $<"; false
-
-%.o: %.cpp
-	@echo "Error: C++ is not supported: $<"; false
-
-%.o: %.C
-	@echo "Error: C++ is not supported: $<"; false
-
-# Begrudgingly tolerated because PyTorch has no C API.
-torch_c_api.o: torch_c_api.cpp
-	$(CXX) -c $(CXXFLAGS) $<
-# same as PyTorch
-ace_c_api.o: ace_c_api.cpp
-	$(CXX) -c $(CXXFLAGS) $<
-
-ifneq ($(LIBDIR),)
-$(LIBDIR)/%:
-ifneq ($(LD_SHARED),)
-	@echo "Creating shared library $@"
-	@$(LD_SHARED) $(LDFLAGS) -o $(@:.a=.so) $^ $(LIBS)
-else
-	@echo "Updating archive $@"
-	@$(AR) $@ $?
-endif
-ifneq ($(RANLIB),)
-	@$(RANLIB) $@
-endif
-endif
-
-# module compiler magic =====================================================
-ifeq ($(MC),)
-#
-# here we cheat... this tells make that .mod can be generated from .o (this holds in CP2K) by doing nothing
-# it avoids recompilation if .o is more recent than .F, but .mod is older than .F
-# (because it didn't change, as e.g. g95 can do)
-#
-# this is problematic if the module names are uppercase e.g. KINDS.mod (because this rule expands to kinds.mod)
-#
-%.mod: %.o
-	@true
-else
-#
-# if MC is defined, it is our 'module compiler' which generates the .mod file from the source file
-# it is useful in a two-stage compile.
-#
-%.mod: %.F
-	$(MC) -c $(FCFLAGS) -D__SHORT_FILE__="\"$(subst $(SRCDIR)/,,$<)\"" $<
-endif
-
-#EOF