make.inc.pgi-cray

MAKE = make
F90 = ftn
CXX = CC
CC = cc
CPP_OPTS = -D_MPI_
 
F90_OPTS =  -O3 -fast -fastsse -Mpreprocess -Munroll -Minfo=all $(CPP_OPTS) 
F90_LINK_OPTS=$(F90_OPTS)

LAPACK_LIB = 

# === compile with HDF5 support ===
CPP_OPTS := $(CPP_OPTS) -D_HDF5_
HDF5_LIB = 

# ==- compile with libXC support ===
CPP_OPTS := $(CPP_OPTS) -D_LIBXC_
XC_LIB = ../libxc.a

# ==- compile with NFFT support ===
#CPP_OPTS := $(CPP_OPTS) -D_NFFT_
#NFFT_INC = -I$(HOME)/local/include
#NFFT_LIB = $(HOME)/local/lib/libnfft3.a $(HOME)/local/lib/libfftw3.a

# === compile with Madness API ===
#CPP_OPTS := $(CPP_OPTS) -D_MAD_
#MADNESS_INC = -I$(HOME)/local/include
#MADNESS_LIB = -L$(HOME)/local/lib/ -lMADmra -lMADlinalg -lMADtensor -lMADmisc -lMADmuparser -lMADtinyxml -lMADworld -lmpichcxx -lstdc++

# === collect all libraries under one name ===
LIBS = $(LAPACK_LIB) $(HDF5_LIB) $(XC_LIB) $(NFFT_LIB) $(MADNESS_LIB)