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Linux-x86-64-gfortran.ssmp
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Linux-x86-64-gfortran.ssmp
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# Tested with: GFortran 8.3.0, LAPACK 3.9.1, FFTW 3.3.9, LIBINT 2.6.0,
# LIBXC 5.1.7, SPGLIB 1.16.2, LIBVORI 210412, LIBXSMM 1.16.2
# Author: Matthias Krack ([email protected], PSI, October 2021)
CC = gcc
FC = gfortran
LD = gfortran
AR = ar -r
FFTW_INC = $(GNU_PATH)/fftw/3.3.9/include
FFTW_LIB = $(GNU_PATH)/fftw/3.3.9/lib
LIBINT_INC = $(GNU_PATH)/libint/2.6.0-lmax-6/include
LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.7/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.7/lib
LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.2/include
LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.2/lib
SPGLIB_INC = $(GNU_PATH)/spglib/1.16.2/include
SPGLIB_LIB = $(GNU_PATH)/spglib/1.16.2/lib
CFLAGS = -O2 -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g -march=native -mtune=native
DFLAGS = -D__FFTW3
DFLAGS += -D__LIBINT
DFLAGS += -D__LIBVORI
DFLAGS += -D__LIBXC
DFLAGS += -D__LIBXSMM
DFLAGS += -D__SPGLIB
FCFLAGS = $(CFLAGS) $(DFLAGS)
FCFLAGS += -fbacktrace
FCFLAGS += -ffree-form
FCFLAGS += -ffree-line-length-none
FCFLAGS += -fno-omit-frame-pointer
FCFLAGS += -std=f2008
FCFLAGS += -I$(FFTW_INC)
FCFLAGS += -I$(LIBINT_INC)
FCFLAGS += -I$(LIBXC_INC)
FCFLAGS += -I$(LIBXSMM_INC)
LDFLAGS = $(FCFLAGS) -static
LIBS = $(LIBVORI_LIB)/libvori.a
LIBS += $(LIBXC_LIB)/libxcf03.a
LIBS += $(LIBXC_LIB)/libxc.a
LIBS += $(LIBINT_LIB)/libint2.a
LIBS += $(SPGLIB_LIB)/libsymspg.a
LIBS += $(FFTW_LIB)/libfftw3_omp.a
LIBS += $(FFTW_LIB)/libfftw3.a
LIBS += $(LIBXSMM_LIB)/libxsmmf.a
LIBS += $(LIBXSMM_LIB)/libxsmm.a
LIBS += $(LIBPATH)/liblapack.a
LIBS += $(LIBPATH)/libblas.a
LIBS += -ldl
LIBS += -lstdc++