# Proven to work in my standalone centos6 in my asus laptop.
# Place this file in ~/mylammps/src/MAKE and rename it Makefile.mkl. 

# mkl = Intel Cluster Tools, mpiicc, MKL MPI, MKL FFT

# Intel recommends Intel Cluster Tools Compiler Edition
# to build libfftw2xc_intel.a: 
# > cd /opt/intel/mkl/10.0.011/interfaces/fftw2xc
# > become root via su
# > gmake libem64t

SHELL = /bin/sh

# ---------------------------------------------------------------------
# compiler/linker settings
# specify flags and libraries needed for your compiler

CC =		/opt/intel/impi/4.1.0.024/bin64/mpiicc
CCFLAGS =	-O3 -fno-alias -ip -unroll0
SHFLAGS =	-fPIC
DEPFLAGS =	-M

LINK =		/opt/intel/impi/4.1.0.024/bin64/mpiicc
LINKFLAGS =	-O -L/opt/intel/Compiler/11.1/072/mkl/lib/em64t
LIB =           -lstdc++ -lpthread -lmkl_em64t -lguide 
SIZE =		size

ARCHIVE =	ar
ARFLAGS =	-rc
SHLIBFLAGS =	-shared

# ---------------------------------------------------------------------
# LAMMPS-specific settings
# specify settings for LAMMPS features you will use
# if you change any -D setting, do full re-compile after "make clean"

# LAMMPS ifdef settings, OPTIONAL
# see possible settings in doc/Section_start.html#2_2 (step 4)

LMP_INC =	-DLAMMPS_GZIP

# MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5)
# can point to dummy MPI library in src/STUBS as in Makefile.serial
# INC = path for mpi.h, MPI compiler settings
# PATH = path for MPI library
# LIB = name of MPI library


MPI_INC =  -DMPICH_SKIP_MPICXX -I/opt/intel/impi/4.1.0.024/include64
MPI_PATH = -L/opt/intel/impi/4.1.0.024/lib64
MPI_LIB =  -lmpich -lmpl -lpthread

#MPI_INC =       -DMPICH_SKIP_MPICXX 
#MPI_PATH = 
#MPI_LIB =	-mt_mpi

# FFT library, OPTIONAL
# see discussion in doc/Section_start.html#2_2 (step 6)
# can be left blank to use provided KISS FFT library
# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
# PATH = path for FFT library
# LIB = name of FFT library

#FFT_INC =       -DFFT_FFTW -I/opt/intel/Compiler/11.1/072/mkl/include/fftw
#FFT_PATH =      -L/opt/intel/Compiler/11.1/072/mkl/interfaces/fftw3xf
#FFT_LIB =	-lfftw3xc_intel

FFT_INC  =  -DFFT_FFTW3 -I/usr/local/fftw3/include #-I/usr/lib64 
FFT_PATH = -L/usr/local/fftw3/lib #-L/usr/lib64/
FFT_LIB  = -lfftw3

# JPEG library, OPTIONAL
# see discussion in doc/Section_start.html#2_2 (step 7)
# only needed if -DLAMMPS_JPEG listed with LMP_INC
# INC = path for jpeglib.h
# PATH = path for JPEG library
# LIB = name of JPEG library

JPG_INC =       
JPG_PATH = 	
JPG_LIB =	

# ---------------------------------------------------------------------
# build rules and dependencies
# no need to edit this section

include	Makefile.package.settings
include	Makefile.package

EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)

# Path to src files

vpath %.cpp ..
vpath %.h ..

# Link target

$(EXE):	$(OBJ)
	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
	$(SIZE) $(EXE)

# Library targets

lib:	$(OBJ)
	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)

shlib:	$(OBJ)
	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
        $(OBJ) $(EXTRA_LIB) $(LIB)

# Compilation rules

%.o:%.cpp
	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<

%.d:%.cpp
	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@

# Individual dependencies

DEPENDS = $(OBJ:.o=.d)
sinclude $(DEPENDS)