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Linux-gnu-aarch64-static.ssmp
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#!/bin/bash
#
# CP2K (GNU aarch64) arch file for a serial static ARM64 binary
#
# Tested with: GNU 14.1.0, FFTW 3.3.10, LIBINT 2.6.0, LIBVORI 220621,
# LIBXC 6.2.2, OpenBLAS 0.3.27, SPGLIB 2.3.1, DFTD4 3.6.0,
# LIBGRPP 20231215
#
# Usage: Source this arch file and then run make as instructed.
#
# Last update: 05.07.2024
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
echo "ERROR: Script ${0##*/} must be sourced"; \
echo "Usage: source ${0##*/}"; \
exit 1; \
fi; \
this_file=${BASH_SOURCE##*/}; \
cd tools/toolchain; \
[[ -z "${target_cpu}" ]] && target_cpu="native"; \
./install_cp2k_toolchain.sh -j${maxtasks} --mpi-mode=no --no-arch-files --target-cpu=${target_cpu} --with-gcc --with-libxsmm=no; \
source ./install/setup; \
cd ../..; \
echo; \
echo "Check the output above for error messages and consistency!"; \
echo; \
echo "If everything is OK, you can build a CP2K production binary with"; \
echo " make -j ARCH=${this_file%.*} VERSION=${this_file##*.}"; \
echo "Further checks are performed, if DO_CHECKS=yes is added."; \
echo; \
return
# Set options
DO_CHECKS := no
TARGET_CPU := native
GNU_VER := $(shell gcc -dumpfullversion)
USE_DFTD4 := 3.6.0
USE_FFTW := 3.3.10
USE_LIBGRPP := 20231215
USE_LIBINT := 2.6.0
USE_LIBVORI := 220621
USE_LIBXC := 6.2.2
USE_OPENBLAS := 0.3.27
USE_SPGLIB := 2.3.1
LMAX := 5
MAX_CONTR := 4
CC := gcc
CXX := g++
FC := gfortran
LD := gfortran
AR := ar -r
CFLAGS := -O2 -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g -mtune=$(TARGET_CPU)
DFLAGS += -D__MAX_CONTR=$(strip $(MAX_CONTR))
INSTALL_PATH := $(PWD)/tools/toolchain/install
# Settings for regression testing
ifeq ($(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
ifneq ($(USE_LIBVORI),)
USE_LIBVORI := $(strip $(USE_LIBVORI))
LIBVORI_LIB := $(INSTALL_PATH)/libvori-$(USE_LIBVORI)/lib
DFLAGS += -D__LIBVORI
LIBS += $(LIBVORI_LIB)/libvori.a
endif
ifneq ($(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
LIBS += $(LIBXC_LIB)/libxcf03.a
LIBS += $(LIBXC_LIB)/libxc.a
endif
ifneq ($(USE_DFTD4),)
USE_DFTD4 := $(strip $(USE_DFTD4))
DFTD4_INC := $(INSTALL_PATH)/dftd4-$(USE_DFTD4)/include
DFTD4_LIB := $(INSTALL_PATH)/dftd4-$(USE_DFTD4)/lib
CFLAGS += -I$(DFTD4_INC)/dftd4/GNU-$(GNU_VER)
DFLAGS += -D__DFTD4
ifeq ($(SHARED), yes)
LIBS += -Wl,-rpath=$(DFTD4_LIB) -L$(DFTD4_LIB) -ldftd4 -lmstore -lmulticharge -lmctc-lib
else
LIBS += $(DFTD4_LIB)/libdftd4.a
LIBS += $(DFTD4_LIB)/libmstore.a
LIBS += $(DFTD4_LIB)/libmulticharge.a
LIBS += $(DFTD4_LIB)/libmctc-lib.a
endif
endif
ifneq ($(USE_LIBGRPP),)
USE_LIBGRPP := $(strip $(USE_LIBGRPP))
LIBGRPP_INC := $(INSTALL_PATH)/libgrpp-main-$(USE_LIBGRPP)/include
LIBGRPP_LIB := $(INSTALL_PATH)/libgrpp-main-$(USE_LIBGRPP)/lib
CFLAGS += -I$(LIBGRPP_INC)
DFLAGS += -D__LIBGRPP
LIBS += $(LIBGRPP_LIB)/liblibgrpp.a
endif
ifneq ($(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
LIBS += $(LIBINT_LIB)/libint2.a
LIBS += $(LIBINT_LIB)/libint2.a
endif
ifneq ($(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
LIBS += $(SPGLIB_LIB)/libsymspg.a
endif
ifneq ($(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
LIBS += $(FFTW_LIB)/libfftw3_omp.a
LIBS += $(FFTW_LIB)/libfftw3.a
endif
ifneq ($(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)
LIBS += $(OPENBLAS_LIB)/libopenblas.a
endif
CFLAGS += $(DFLAGS) $(CFLAGS_DEBUG)
FCFLAGS := $(CFLAGS) $(FCFLAGS_DEBUG) $(WFLAGS)
ifeq ($(shell [ $(shell gcc -dumpversion | cut -d. -f1) -gt 9 ] && echo yes), yes)
FCFLAGS += -fallow-argument-mismatch
endif
FCFLAGS += -fbacktrace
FCFLAGS += -ffree-form
FCFLAGS += -ffree-line-length-none
FCFLAGS += -fno-omit-frame-pointer
FCFLAGS += -std=f2008
# The LeakSanitizer does not work with static linking
ifeq ($(DO_CHECKS), yes)
LDFLAGS += $(FCFLAGS)
else
LDFLAGS += $(FCFLAGS) -static
endif
LIBS += -Wl,--whole-archive -lpthread -Wl,--no-whole-archive -ldl -lstdc++
# End