make.inc.local.gcc.gpu

MAKE = make
F90 = mpif90
CXX = mpicxx
CC = mpicc
CPP_OPTS = -D_MPI_ -fopenmp
 
#F90_OPTS = -g -Wall -cpp $(CPP_OPTS) 
#F90_OPTS = -O3 -Wall -cpp $(CPP_OPTS) 
F90_OPTS = -pg -O3 -Wall -cpp $(CPP_OPTS) 
#F90_OPTS = -O0 -Wall -g -cpp -fbounds-check -fdump-core -fbacktrace $(CPP_OPTS)

F90_LINK_OPTS = $(F90_OPTS) -fPIC

# Use ATLAS
#ATLAS_PATH = /home/wphan/libatlas
#ATLAS_LIB  = -L$(ATLAS_PATH)/lib -llapack -lf77blas -lcblas -latlas

# Use MKL
#MKL_PATH = /home/wphan/intel/mkl
#MKL_LIB  = -fopenmp -L$(MKL_PATH)/lib/intel64 \
#             -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core \
#             -lpthread -lstdc++ -lm -lgfortran

LAPACK_LIB = -lblas -llapack
#LAPACK_LIB = $(ATLAS_LIB)
#LAPACK_LIB = $(MKL_LIB)

# === compile with HDF5 support ===
HDF5_PATH = /usr/lib/x86_64-linux-gnu/hdf5/serial
HDF5_INC  = -I$(HDF5_PATH)/include
HDF5_LIB  = -L$(HDF5_PATH) -lhdf5_fortran -lhdf5_cpp -lhdf5_hl -lhdf5 -ldl
HDF5_OPTS = -D_HDF5_ $(HDF5_INC)
CPP_OPTS := $(CPP_OPTS) $(HDF5_OPTS)

# ==- compile with libXC support ===
#CPP_OPTS := $(CPP_OPTS) -D_LIBXC_
#XC_LIB =

# ==- 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++

# CUDA additions
CUDA_PATH = /usr/local/cuda
CUDA_LIB  = -L$(CUDA_PATH)/lib64 -lcublas -lcudart -lcusolver
CPP_OPTS += -I$(CUDA_PATH)/include
NVCC = $(CUDA_PATH)/bin/nvcc
CUDA_WRAP = ./addons/expigqr/cublas_fortran.o \
            ./addons/expigqr/cublas_fortran_iso.o

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

# Serial compilers (mainly for utilities)
F90SERIAL = gfortran
F90_OPTS_SERIAL = ${F90_OPTS/-D_MPI_ -fopenmp/}
LIBS_SERIAL = $(LAPACK_LIB) $(HDF5_LIB)