Makefile.include.fujitsu a64fx

# Default precompiler options
CPP_OPTIONS = -DHOST=\"FJ-A64FX\" \
              -DMPI -DMPI_BLOCK=8000 -Duse_collective \
              -DscaLAPACK \
              -DCACHE_SIZE=4000 \
              -Davoidalloc \
              -Dvasp6 \
              -Dtbdyn \
              -Dfock_dblbuf

CPP         = frt -Ccpp -E $(CPP_OPTIONS) $*$(FUFFIX) > $*$(SUFFIX)

# N.B.: to cross-compile for A64FX on X86_64 replace mpifrt, frt, fcc, and FCC
#       by mpifrtpx, frtpx, fccpx, and FCCpx, respectively.
FC          = mpifrt -Ksimd_nouse_multiple_structures -X03
FCL         = mpifrt -Kfz,simd_nouse_multiple_structures

FREE        =

FFLAGS      = -Koptmsg=2
OFLAG       = -Kfast
OFLAG_IN    = $(OFLAG)
DEBUG       = -O0 -g
OFLAG_1     = -O1
OFLAG_2     = -O2
OFLAG_3     = -Kfast

OBJECTS_O1 += minimax_dependence.o elphon_common.o
OBJECTS_O2 += nonl.o vdw_nl.o

# For what used to be vasp.5.lib
CPP_LIB     = $(CPP)
FC_LIB      = frt  -Ksimd_nouse_multiple_structures
CC_LIB      = fcc -Nclang
CFLAGS_LIB  = -O3
FFLAGS_LIB  = $(OFLAG)
FREE_LIB    = $(FREE)

OBJECTS_LIB = linpack_double.o

# For the parser library
CXX_PARS    = FCC -Nclang -stdlib=libc++
LLIBS       = --linkstl=libc++

##
## Customize as of this point! Of course you may change the preceding
## part of this file as well if you like, but it should rarely be
## necessary ...
##

# BLAS, LAPACK, and SCALAPACK (mandatory)
LLIBS      += -SSL2 -SCALAPACK

# HINT: Fujitsu maintains its own fftw fork on GitHub
#       (https://github.com/fujitsu/fftw3)
FFTW       ?= /path/to/your/fujitsu/fftw3
LLIBS      += -L$(FFTW)/lib64 -lfftw3
INCS        = -I$(FFTW)/include

# HDF5-support (optional but strongly recommended, and mandatory for some features)
#CPP_OPTIONS+= -DVASP_HDF5
#HDF5_ROOT  ?= /path/to/your/hdf5/installation
#LLIBS      += -L$(HDF5_ROOT)/lib64 -lhdf5_fortran -lhdf5
#INCS       += -I$(HDF5_ROOT)/include

# For the VASP-2-Wannier90 interface (optional)
#CPP_OPTIONS    += -DVASP2WANNIER90
#WANNIER90_ROOT ?= /path/to/your/wannier90/installation
#LLIBS          += -L$(WANNIER90_ROOT)/lib64 -lwannier

# For machine learning library VASPml (experimental)
#CPP_OPTIONS += -Dlibvaspml
#CXX_ML       = mpiFCC -Nclang
#CXXFLAGS_ML  = -O3 -std=c++17 -stdlib=libc++
#INCLUDE_ML   =
#FJSV_ROOT   ?= /path/to/your/fujitsu/compilers/suite
#LLIBS       += $(FJSV_ROOT)/lib64/libc++fs.a

# Python plugin (experimental, requires python 3.10 or newer with pybind11 and numpy packages)
#CPP_OPTIONS+= -DPLUGINS
#LLIBS      += $(shell python3-config --ldflags --embed)
#CXX_FLAGS   = $(shell python3 -m pybind11 --includes) -std=c++11 -stdlib=libc++

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