# Amber configuration file, created with: ./configure gnu ############################################################################### # (1) Location of the installation BINDIR=/Users/swails/Source/newamber/03.03.10/amber11/bin LIBDIR=/Users/swails/Source/newamber/03.03.10/amber11/lib INCDIR=/Users/swails/Source/newamber/03.03.10/amber11/include DATDIR=/Users/swails/Source/newamber/03.03.10/amber11/dat NABHOME=/Users/swails/Source/newamber/03.03.10/amber11/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 $(LIBDIR)/lapack.a $(LIBDIR)/blas.a -lgfortran FLIBSF= $(LIBDIR)/arpack.a $(LIBDIR)/lapack.a $(LIBDIR)/blas.a FLIBS_FFTW2=$(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=gcc CXX=g++ CPLUSPLUS=g++ CFLAGS= -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ $(AMBERBUILDFLAGS) OCFLAGS=-O3 -mtune=generic -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ $(AMBERBUILDFLAGS) NABFLAGS= LDFLAGS= $(AMBERBUILDFLAGS) LEX= flex YACC= $(BINDIR)/yacc AR= ar rv M4= m4 RANLIB=ranlib MAKE=make # 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=install BLAS=install 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: SFX= # Information about Fortran compilation: FC=gfortran FFLAGS= -O0 $(LOCALFLAGS) $(AMBERBUILDFLAGS) FOPTFLAGS= -O3 -mtune=generic $(LOCALFLAGS) $(AMBERBUILDFLAGS) FREEFORMAT_FLAG= -ffree-form LM=-lm FPP=cpp -traditional -P -DBINTRAJ FPPFLAGS=-P -DBINTRAJ BUILD_SLEAP=install_sleap XHOME= /usr/X11R6 XLIBS= -L/usr/X11R6/lib64 -L/usr/X11R6/lib MAKE_XLEAP=install_xleap NETCDF=netcdf.mod NETCDFLIB=../netcdf/lib/libnetcdf.a PNETCDF=no PNETCDFLIB= HASFC=yes MDGX=no COMPILER=gnu MKL= MKL_PROCESSOR= #PMEMD Specific build flags PMEMD_FPP=cpp -traditional -P -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT PMEMD_F90=gfortran PMEMD_FOPTFLAGS=-O3 -mtune=generic PMEMD_CC=gcc PMEMD_CCFLAGS= PMEMD_COPTFLAGS=-O3 -mtune=generic PMEMD_NETCDFLIB=../../netcdf/lib/libnetcdf.a