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# This is an example system-specific makefile. You will need to adjust | ||
# it for the actual system you are running on. | ||
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# Set compilers | ||
FC=/opt/homebrew/bin/mpifort | ||
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# OpenMP flags | ||
# Set this to "OMPFLAGS= " if compiling without openmp | ||
# Set this to "OMPFLAGS= -fopenmp" if compiling with openmp | ||
OMPFLAGS= -fopenmp | ||
# Set this to "OMP_DUMMY = DUMMY" if compiling without openmp | ||
# Set this to "OMP_DUMMY = " if compiling with openmp | ||
OMP_DUMMY = | ||
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# Set BLAS and LAPACK libraries | ||
# MacOS X | ||
# BLAS= -lvecLibFort | ||
# Intel MKL use the Intel tool | ||
# Generic | ||
BLAS= -llapack -lblas | ||
# Full scalapack library call; remove -lscalapack if using dummy diag module. | ||
# If using OpenMPI, use -lscalapack-openmpi instead. | ||
# If using Cray-libsci, use -llibsci_cray_mpi instead. | ||
SCALAPACK = -lscalapack | ||
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# LibXC: choose between LibXC compatibility below or Conquest XC library | ||
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# Conquest XC library | ||
#XC_LIBRARY = CQ | ||
#XC_LIB = | ||
#XC_COMPFLAGS = | ||
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# LibXC compatibility | ||
# Choose LibXC version: v4 (deprecated) or v5/6 (v5 and v6 have the same interface) | ||
#XC_LIBRARY = LibXC_v4 | ||
XC_LIBRARY = LibXC_v5 | ||
XC_LIB = -lxcf90 -lxc | ||
XC_COMPFLAGS = -I/opt/homebrew/Cellar/libxc/6.2.2/include | ||
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# Set FFT library | ||
FFT_LIB=-lfftw3 | ||
FFT_OBJ=fft_fftw3.o | ||
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LIBS= $(FFT_LIB) $(XC_LIB) $(SCALAPACK) $(BLAS) | ||
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# Compilation flags | ||
# NB for gcc10 you need to add -fallow-argument-mismatch | ||
COMPFLAGS= -fallow-argument-mismatch -O3 $(OMPFLAGS) $(XC_COMPFLAGS) -I/opt/homebrew/Cellar/openblas/0.3.27/include -I/opt/homebrew/Cellar/lapack/3.12.0/include -I/opt/homebrew/Cellar/fftw/3.3.10_1/include | ||
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# Linking flags | ||
LINKFLAGS= $(OMPFLAGS) -L/opt/homebrew/Cellar/openblas/0.3.27/lib -L/opt/homebrew/Cellar/lapack/3.12.0/lib -L/opt/homebrew/Cellar/fftw/3.3.10_1/lib -L/opt/homebrew/Cellar/libxc/6.2.2/lib -L/opt/homebrew/Cellar/scalapack/2.2.0_1/lib | ||
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# Matrix multiplication kernel type | ||
MULT_KERN = default | ||
# Use dummy DiagModule or not | ||
DIAG_DUMMY = |