#============================================================================== # AMBER Makefile configuration for compiler/architecture: pgf90 # Generated via command: ./configure -mpich -opteron -acml -lapack pgf90 # # Configuration script written mainly by Joe Krahn, Scott Brozell, and # Dave Case, with contributions from lots of people. #============================================================================== #------------------------------------------------------------------------------ # Main AMBER source root directory #------------------------------------------------------------------------------ AMBER_SRC=/root/Installs/amber8/src #------------------------------------------------------------------------------ # AMBERBUILDFLAGS provides a hook into the build process for installers; # for example, to build debug versions of the amber programs # make -e AMBERBUILDFLAGS="-DDEBUG -g" #------------------------------------------------------------------------------ AMBERBUILDFLAGS= #------------------------------------------------------------------------------ # LOCALFLAGS is intended for program specific modifications to the # Fortran build process and may be modified by the program's local makefile #------------------------------------------------------------------------------ LOCALFLAGS= #------------------------------------------------------------------------------ # Availability and method of delivery of math and optional libraries #------------------------------------------------------------------------------ USE_BLASLIB=$(VENDOR_SUPPLIED) USE_LAPACKLIB=$(VENDOR_SUPPLIED) USE_LMODLIB=$(LMOD_UNAVAILABLE) #------------------------------------------------------------------------------ # C compiler #------------------------------------------------------------------------------ CC=pgcc CPLUSPLUS=pgCC ALTCC=pgcc CFLAGS=-O2 -Mcache_align $(AMBERBUILDFLAGS) ALTCFLAGS= $(AMBERBUILDFLAGS) CPPFLAGS= $(AMBERBUILDFLAGS) #------------------------------------------------------------------------------ # Fortran preprocessing and compiler. # FPPFLAGS holds the main Fortran options, such as whether MPI is used. #------------------------------------------------------------------------------ FPPFLAGS= -I/usr/local/mpich-1.2.6/include -P -I$(AMBER_SRC)/include -DMPI $(AMBERBUILDFLAGS) FPP= cpp -traditional $(FPPFLAGS) FC= pgf90 FFLAGS= -O -Mextend -fastsse $(LOCALFLAGS) $(AMBERBUILDFLAGS) FOPTFLAGS= -O -Mextend -fastsse -O3 $(LOCALFLAGS) $(AMBERBUILDFLAGS) FPP_PREFIX= _ FREEFORMAT_FLAG= -Mfree #------------------------------------------------------------------------------ # Loader: #------------------------------------------------------------------------------ LOAD= pgf90 $(LOCALFLAGS) $(AMBERBUILDFLAGS) LOADCC= pgcc $(LOCALFLAGS) $(AMBERBUILDFLAGS) LOADLIB= -lacml -llapack -lblas LOADPTRAJ= pgf90 -Mnomain $(LOCALFLAGS) $(AMBERBUILDFLAGS) XHOME= /usr/X11R6 X11LIBDIR=lib #------------------------------------------------------------------------------ # Other stuff: #------------------------------------------------------------------------------ .SUFFIXES: .f90 SYSDIR=lib AR=ar rv M4=m4 RANLIB=ranlib SFX= MAKEDEPEND=$(AMBER_SRC)/../bin/amber_makedepend # default rules for Fortran and C compilation: .f.o: $< $(FPP) $< > $(FPP_PREFIX)$< $(FC) -c $(FFLAGS) -o $@ $(FPP_PREFIX)$< .f90.o: $< $(FPP) $< > $(FPP_PREFIX)$< $(FC) -c $(FFLAGS) -o $@ $(FPP_PREFIX)$< .c.o: $(CC) -c $(CFLAGS) $(CPPFLAGS) -o $@ $<