#============================================================================== # AMBER Makefile configuration for compiler/architecture: xlf90_macosx # Generated via command: ./configure -lam xlf90_macosx # # 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=/Users/sxzheng/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= xlc CPLUSPLUS=g++ ALTCC=gcc CFLAGS=-O2 -Ddspev=dspev_ $(AMBERBUILDFLAGS) ALTCFLAGS= $(AMBERBUILDFLAGS) CPPFLAGS=-DCLINK_PLAIN $(AMBERBUILDFLAGS) #------------------------------------------------------------------------------ # Fortran preprocessing and compiler. # FPPFLAGS holds the main Fortran options, such as whether MPI is used. #------------------------------------------------------------------------------ FPPFLAGS= -I/usr/local/lam/include -P -I$(AMBER_SRC)/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 $(AMBERBUILDFLAGS) FPP= /opt/ibmcmp/xlf/8.1/exe/cpp $(FPPFLAGS) FC= xlf90 FFLAGS= -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c $(LOCALFLAGS) $(AMBERBUILDFLAGS) FOPTFLAGS= -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c $(LOCALFLAGS) $(AMBERBUILDFLAGS) FPP_PREFIX= _ FREEFORMAT_FLAG= -qfree=f90 #------------------------------------------------------------------------------ # Loader: #------------------------------------------------------------------------------ LOAD= xlf90 -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send $(LOCALFLAGS) $(AMBERBUILDFLAGS) LOADCC= xlc $(LOCALFLAGS) $(AMBERBUILDFLAGS) LOADLIB= -L/usr/local/lam/lib -llammpio -llamf77mpi -lmpi -llam -Wl,-framework -Wl,Accelerate LOADPTRAJ= xlf90 -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send $(LOCALFLAGS) $(AMBERBUILDFLAGS) XHOME= /usr/X11R6 #------------------------------------------------------------------------------ # Other stuff: #------------------------------------------------------------------------------ ..SUFFIXES: .f90 SYSDIR=Machines/ibm_aix AR=ar rvs M4=m4 -B50000 RANLIB=ranlib SFX= MAKEDEPEND=$(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 $@ $<