makefile.include.nec_aurora

# Default precompiler options
CPP_OPTIONS = -DHOST=\"SXAurora\" \
              -D__NEC__ \
              -D__NEC_TUNE__ \
              -DMPI \
              -DMPI_INPLACE \
              -DMPI_BLOCK=8000 \
              -Duse_collective \
              -DscaLAPACK \
              -DCACHE_SIZE=32768 \
              -Davoidalloc \
              -Dvasp6 \
              -Dtbdyn \
              -Dfock_dblbuf \
              -DCRREXP_inline \
              -DRPROMU_DGEMV \
              -DUSE_ERF

CPP         = gcc -E -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)

FC          = mpinfort
FCL         = mpinfort

FREE        = -ffree-form -Wall

FTRACE      = -no-ftrace
INLINE      = -finline-functions -finline-file=random.f90
REPORT      = -fdiag-parallel=0 -fdiag-vector=0 -fdiag-inline=0 -w

FFLAGS      = $(FTRACE) $(INLINE) $(REPORT)
OFLAG       = -O3
OFLAG_IN    = $(OFLAG)
DEBUG       = -O0

# For what used to be vasp.5.lib
CPP_LIB     = $(CPP)
FC_LIB      = $(FC)
CC_LIB      = ncc
CFLAGS_LIB  = -O
FFLAGS_LIB  = -O1
FREE_LIB    = $(FREE)

OBJECTS_LIB = linpack_double.o

# For the parser library
CXX_PARS    = nc++

##
## 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, scaLAPACK, and FFTW from NEC Numeric Library Collection (NEC NLC)
NLC_ROOT   ?= /path/to/your/nlc/installation
BLAS        = -L$(NLC_ROOT)/lib -lblas_sequential -lcblas
LAPACK      = -L$(NLC_ROOT)/lib -llapack
SCALAPACK   = -L$(NLC_ROOT)/lib -lscalapack

FFTW        = -L$(NLC_ROOT)/lib -laslfftw3_mpi -lasl_mpi_sequential -cxxlib -static -static-nec
INCS        = -I$(NLC_ROOT)/include

LLIBS       = $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW)

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

# Uncomment the following to use ELPA
#CPP_OPTIONS+= -DELPA
#ELPADIR     = <path-to-your-elpa-2021.05.001-installation>
#ELPA        = -L$(ELPADIR)/lib -lelpa
#INCS       += -I$(ELPADIR)/include/elpa-2021.05.001/modules
#LLIBS       = $(ELPA) $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW)

# For machine learning library vaspml (experimental)
#CPP_OPTIONS += -Dlibvaspml
#CPP_OPTIONS += -DVASPML_USE_CBLAS
#CPP_OPTIONS += -DVASPML_DEBUG_LEVEL=3
#CXX_ML      = mpinc++
#CXXFLAGS_ML = -O3 -std=gnu++17 -pedantic-errors -Wall
#INCLUDE_ML  = -I$(NLC_ROOT)/include
#CPP_DEP     = $(CPP)
makefile.include