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|
MAKE = %%GMAKE%%
AR = ar
# Elk requires BLAS/LAPACK and fast Fourier transform (FFT) libraries.
# We recommend using optimised, mutithreaded BLAS/LAPACK libaries such as those
# provided by the Intel Math Kernel Library (MKL), OpenBLAS or BLIS.
# Elk can use either the Fastest Fourier Transform in the West (FFTW) or the
# MKL FFT. Both single and double precision versions of the FFT are needed.
#------------------------------------------------------------------------------#
# Libraries #
#------------------------------------------------------------------------------#
#-------------------------------------------------------------------------------
SRC_MKL = mkl_stub.f90
# To enable MKL multithreaded parallelism, uncomment the following line and link
# with the MKL library.
#SRC_MKL =
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_OBLAS = oblas_stub.f90
# To enable OpenBLAS multithreaded parallelism, uncomment the following line and
# link with the OpenBLAS library.
#SRC_OBLAS =
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_BLIS = blis_stub.f90
# To enable BLIS multithreaded parallelism, uncomment the following line and
# link with the BLIS library.
#SRC_BLIS =
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# If your compiler does *not* support the Message Passing Interface (MPI) then
# uncomment the line below.
#SRC_MPI = mpi_stub.f90
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# Elk supports two FFT libraries:
# Fastest Fourier Transform in the West (FFTW)
# Intel Math Kernel Library (MKL) Fast Fourier Transform
#
# FFTW is enabled by default with:
SRC_FFT = zfftifc_fftw.f90 cfftifc_fftw.f90
#
# To enable MKL FFT instead, copy mkl_dfti.f90 to the elk/src directory and
# uncomment the line below.
#SRC_FFT = mkl_dfti.f90 zfftifc_mkl.f90 cfftifc_mkl.f90
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_LIBXC = libxcifc_stub.f90
# To enable Libxc first download and compile version 5.x of the library. Next
# copy the files libxcf90.a and libxc.a to the elk/src directory and uncomment
# the following lines.
LIB_LIBXC = -lxcf90 -lxc
SRC_LIBXC = libxcf03.f90 libxcifc.f90
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_W90S = w90_stub.f90
# To enable the Wannier90 library copy libwannier.a to the elk/src directory and
# uncomment the following lines.
#SRC_W90S =
#LIB_W90 = libwannier.a
#-------------------------------------------------------------------------------
#------------------------------------------------------------------------------#
# Compilers #
#------------------------------------------------------------------------------#
#-------------------------------------------------------------------------------
# Intel MPI Fortran version 18 and later.
#F90 = %%FC%%
#F90_OPTS = -O3 %%OPENMP_FLAGS%% %%FCFLAGS%%
#F90_LIB = -liomp5 -lpthread -lm -ldl
#SRC_MKL =
#AR = xiar
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# GNU Fortran compiler with MKL.
F90 =
F90_OPTS = $(FFLAGS) -Ofast -fomit-frame-pointer -fopenmp -ffpe-summary=none -fallow-argument-mismatch
F90_LIB = -llapack -lblas -lfftw3 -lfftw3f -pthread
SRC_MKL =
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# GNU Fortran compiler with OpenBLAS, LAPACK and FFTW
#F90 = mpif90
#F90_OPTS = -Ofast -march=native -mtune=native -fomit-frame-pointer -fopenmp -ffpe-summary=none -fallow-argument-mismatch
#F90_LIB = -lopenblas -llapack -lfftw3
#SRC_OBLAS =
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# Intel Fortran debugging and profiling options.
#F90 = mpiifort
#F90_OPTS = -O3 -qopenmp -mkl=parallel -pg
#F90_LIB = -liomp5 -lpthread -lm -ldl
#SRC_MKL =
#AR = ar
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# GNU Fortran debugging options.
#F90 = gfortran
#F90_OPTS = -O3 -Wunused -fopenmp
#F90_LIB = -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core -lpthread
#SRC_MKL =
#SRC_MPI = mpi_stub.f90
#-------------------------------------------------------------------------------
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