# Precompiler options
CPP_OPTIONS = -DHOST=\"LinuxFTN\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-DMPI_INPLACE \
-Dvasp6 \
-Dtbdyn \
-Dfock_dblbuf
CPP = cpp --traditional -E -P -Wno-endif-labels $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = ftn
FCL = $(FC)
FREE = -ffree -N 1023
FFLAGS = -dC -rmo -emEb
# suppress warnings
FFLAGS += -m 4
# O1 is recommended, higher opt levels cause compiler problems, performance difference between O1 and O2 is negligible
OFLAG = -O1
OFLAG_IN = $(OFLAG)
DEBUG = -O0
# fine grain control over lapack, by default ftn will link libsci with the appropriate configuration
# LAPACK = -L${CRAY_LIBSCI_PREFIX_DIR}/lib -lsci_cray_mpi
# LLIBS = $(LAPACK)
FFTW_ROOT ?= /opt/cray/pe/fftw/default/x86_milan
LLIBS += -L$(FFTW_ROOT)/lib -lfftw3
INCS = -I$(FFTW_ROOT)/include
#
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = cc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
OBJECTS_LIB= linpack_double.o getshmem.o
# For the parser library
CXX_PARS = CC
LLIBS += -lstdc++
# Normally no need to change this
SRCDIR = ../../src
BINDIR = ../../bin
# HDF5-support (optional but strongly recommended, and mandatory for some features)
#CPP_OPTIONS+= -DVASP_HDF5
#HDF5_ROOT ?= /path/to/your/hdf5/installation
#LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
#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)/lib -lwannier
# special cray workarounds
CRAYFTNVER=$(shell crayftn --version 2>/dev/null | grep "Version" | sed -n 's/.*Version \([0-9]\+\)\..*/\1/p')
CPP_OPTIONS += -D__DCRAYFTN_VERSION=$(CRAYFTNVER)
makefile.include
