#  Amber configuration file, created with: ./configure -noX11 intel

###############################################################################

# (1)  Location of the installation

BINDIR=/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/bin
LIBDIR=/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/lib
INCDIR=/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/include
DATDIR=/usr/global/amber/intel-12.0.0-mvapich2-1.5.1p1/dat

###############################################################################


#  (2) If you want to search additional libraries by default, add them
#      to the FLIBS variable here.  (External libraries can also be linked into
#      NAB programs simply by including them on the command line; libraries
#      included in FLIBS are always searched.)

FLIBS=  $(LIBDIR)/arpack.a  -L/usr/global/compiler/intel/12.0.0/mkl/lib/intel64 -Wl,--start-group /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_intel_lp64.a /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_sequential.a /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread -L/usr/global/compiler/intel/12.0.0/composerxe-2011.0.084/lib/intel64/ -lifport -lifcore -lsvml 
FLIBSF= $(LIBDIR)/arpack.a  -L/usr/global/compiler/intel/12.0.0/mkl/lib/intel64 -Wl,--start-group /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_intel_lp64.a /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_sequential.a /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread  -lsvml
FLIBS_FFTW2=$(LIBDIR)/libdrfftw.a $(LIBDIR)/libdfftw.a
###############################################################################

#  (3)  Modify any of the following if you need to change, e.g. to use gcc
#        rather than cc, etc.

SHELL=/bin/sh

#  Set the C compiler, etc. 

#          For GNU:  CC-->gcc; LEX-->flex; YACC-->bison -y -t;
#          Note: If your lexer is "really" flex, you need to set
#          LEX=flex below.  For example, on many linux distributions,
#          /usr/bin/lex is really just a pointer to /usr/bin/flex,
#          so LEX=flex is necessary.  In general, gcc seems to need
#          flex.

CC=icc
CXX=icpc
CPLUSPLUS=icpc
CFLAGS= -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ  $(AMBERBUILDFLAGS)
OCFLAGS=-ip -O3 -msse3 -xHost -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ   $(AMBERBUILDFLAGS)
NABFLAGS=
LDFLAGS= -shared-intel $(AMBERBUILDFLAGS)

LEX=   flex
YACC=  $(BINDIR)/yacc
AR=    ar rv
M4=    m4
RANLIB=ranlib

#  Set the C-preprocessor.  Code for a small preprocessor is in
#    uccp-1.3;  it gets installed as $(BINDIR)/ucpp;
#    this can generally be used (maybe not on 64-bit machines like altix).

CPP=   $(BINDIR)/ucpp -l

#  These variables control whether we will use compiled versions of BLAS
#  and LAPACK (which are generally slower), or whether those libraries are
#  already available (presumably in an optimized form).

LAPACK=skip
BLAS=skip
F2C=skip

#  These variables determine whether builtin versions of certain components
#  can be used, or whether we need to compile our own versions.

UCPP=install
C9XCOMPLEX=skip

#  For Windows/cygwin, set SFX to ".exe"; for Unix/Linux leave it empty:
#  Set OBJSFX to ".obj" instead of ".o" on Windows:

SFX=
OSFX=.o
MV=mv
RM=rm
CP=cp

#  Information about Fortran compilation:

FC=ifort
FFLAGS= -O0 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FOPTFLAGS= -ip -O3 -msse3 -xHost $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FREEFORMAT_FLAG= -FR
LM=-lm
FPP=cpp -traditional -P  -DMKL -DBINTRAJ  $(AMBERBUILDFLAGS)
FPPFLAGS=-P  -DMKL -DBINTRAJ  $(AMBERBUILDFLAGS)

BUILD_SLEAP=install_sleap
XHOME= 
XLIBS= -L/lib64 -L/lib
MAKE_XLEAP=skip_xleap

NETCDF=netcdf.mod
NETCDFLIB=../netcdf/lib/libnetcdf.a
PNETCDF=no
PNETCDFLIB=

HASFC=yes
MDGX=no

COMPILER=intel
MKL=/usr/global/compiler/intel/12.0.0/mkl
MKL_PROCESSOR=intel64

#CUDA Specific build flags
NVCC=
PMEMD_CU_INCLUDES=
PMEMD_CU_LIBS=
PMEMD_CU_DEFINES=

#PMEMD Specific build flags
PMEMD_FPP=cpp -traditional  -P  -DMKL -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT
PMEMD_F90=ifort
PMEMD_FOPTFLAGS=-ip -O3 -msse3 -xHost
PMEMD_CC=icc
PMEMD_COPTFLAGS=-ip -O3 -msse3 -xHost -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ 
PMEMD_NETCDFLIB=../../netcdf/lib/libnetcdf.a
PMEMD_FLIBSF=-L/usr/global/compiler/intel/12.0.0/mkl/lib/intel64 -Wl,--start-group /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_intel_lp64.a /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_sequential.a /usr/global/compiler/intel/12.0.0/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread 
PMEMD_LD= 'ifort -shared-intel' 
LDOUT= -o 

#3D-RISM MPI
RISMSFF=-DRISMSFF
NABLIBRISM=librism
SANDER_RISM_MPI=

#PUPIL
PUPILLIBS=-lrt -lm -lc -L${PUPIL_PATH}/lib -lPUPIL -lPUPILBlind