# AmberTools configuration file, created with: ./configure_at -scalapack icc ############################################################################### # (1) Location of the installation BINDIR=/home/mmaly/amber/bin LIBDIR=/home/mmaly/amber/lib INCDIR=/home/mmaly/amber/include DATDIR=/home/mmaly/amber/dat NABHOME=/home/mmaly/amber/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)/libsym.a $(LIBDIR)/arpack.a $(LIBDIR)/f2c.a $(MKL_HOME)/lib/em64t/libmkl_lapack.a $(MKL_HOME)/lib/em64t/libmkl_em64t.a -L$(MKL_HOME)/lib/em64t -lguide -lpthread ############################################################################### # (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=-wd117,177,266,880,1011 -DBINTRAJ $(AMBERBUILDFLAGS) OCFLAGS=-wd117,177,266,880,1011 -O2 -DBINTRAJ $(AMBERBUILDFLAGS) NABFLAGS= LDFLAGS= 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=install # 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= -O1 -fno-automatic $(LOCALFLAGS) $(AMBERBUILDFLAGS) FREEFORMAT_FLAG= LM=-lm BUILD_SLEAP=install_sleap XHOME= /usr/X11R6 XLIBS= -L/usr/X11R6/lib64 -L/usr/X11R6/lib MAKE_XLEAP=skip_xleap NETCDF=netcdf.mod NETCDFLIB=../netcdf/lib/libnetcdf.a G77=hasG77 # default rules for Fortran and C compilation: .f.o: $(FC) -c $(FFLAGS) -o $@ $< .c.o: $(CC) -c $(CFLAGS) -o $@ $<