# CHARMM makefile for IBM RS/6000
ROOT = rootdir
SRC = $(ROOT)/source
FLX = $(ROOT)/tool/preflx
LIB = $(ROOT)/lib/ibmaixmp
EXEC = $(ROOT)/exec/ibmaixmp
FC = mpxlf95_r -qfixed  -qalign=4k -qarch=auto -qcache=auto -qtune=auto -qmaxmem=-1 -qxlf77=leadzero -bmaxdata:0x80000000 -bmaxstack:0x10000000
CC = xlc -Dnographics -Dibmrs 
LD = mpxlf95_r  -O -qalign=4k -qarch=auto -qcache=auto -qtune=auto -qmaxmem=-1 -bmaxdata:0x80000000 -bmaxstack:0x10000000
GLIB = 
CPP = /usr/lib/cpp
CPPFLAGS =-P -DIBMRS -DCHARMMTEST -DCHARMM  -I$(SRC)/moldyn
RANLIB = ranlib
GMS = $(ROOT)/tool/gmscomp_ibmaixmp
QLIB =
MBONDFLG = 
.SUFFIXES: .fcm .src .o
VPATH = fcm
FC0 = $(FC) -c -g
FC1 = $(FC) -c -O   -qxlf77=leadzero
FC2 = $(FC) -c -O2  -qxlf77=leadzero
FC3 = $(FC) -c -O3  -qxlf77=leadzero
FCR = $(FC) -c -O3 -qstrict -g -qxlf77=leadzero
FCD = $(FC) -c -no -g
FCRD = $(FC) -c -no -g

##########   DEBUG  ####################################
# FC1 = $(FC) -c -g  -qxlf77=leadzero
# FC2 = $(FC) -c -g  -qxlf77=leadzero
# FC3 = $(FC) -c -g  -qxlf77=leadzero
# LD = mpxlf95_r -qalign=4k -qarch=auto -qcache=auto -qtune=auto -qmaxmem=-1 -g


LIBS = \
	$(LIB)/adumb.a \
	$(LIB)/cadint.a \
	$(LIB)/cff.a \
	$(LIB)/correl.a \
	$(LIB)/dimb.a \
	$(LIB)/dynamc.a \
	$(LIB)/energy.a \
	$(LIB)/gamint.a \
	$(LIB)/gener.a \
	$(LIB)/graphics.a \
	$(LIB)/gukint.a \
	$(LIB)/image.a \
	$(LIB)/io.a \
	$(LIB)/machdep.a \
	$(LIB)/manip.a \
	$(LIB)/mbond.a \
	$(LIB)/mc.a \
	$(LIB)/minmiz.a \
	$(LIB)/misc.a \
	$(LIB)/mmff.a \
	$(LIB)/moldyn.a \
	$(LIB)/molvib.a \
	$(LIB)/nbonds.a \
	$(LIB)/pert.a \
	$(LIB)/quantum.a \
	$(LIB)/rxncor.a \
	$(LIB)/shapes.a \
	$(LIB)/solvation.a \
	$(LIB)/util.a \
	$(LIB)/vibran.a

$(EXEC)/charmm : $(LIB)/stamp $(LIBS)
	ranlib $(LIBS)
	$(LD) -o charmm.exe $(LIB)/*.o $(LIBS) $(QLIB) $(GLIB)
