INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
BIN = ~/bin/
CC = gcc
FC = /opt/cray/craype/2.5.3/bin/ftn
#FC = /opt/intel/bin/ifort
OPT = -mcmodel=medium -shared-intel -dynamic -g -CA -CB -fpic
OPT1 = ${OPT}
OPT2 = ${OPT}
CFLAGS = -c
FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
FFLAGS1 = ${OPT1} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
FFLAGS2 = ${OPT2} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST -DNEWCORR #-DCHECKGRAD # -DOUT_PTAB -DOUT_LIK -DZCHECK

.f.o:
	${FC} ${FFLAGS} -I. -Iinclude_unres $*.f

.F.o:
	${FC} ${FFLAGS} -I. -Iinclude_unres ${CPPFLAGS} $*.F

all: maxlik

objects = \
	amebsa.o \
	amotsa.o \
	arcos.o \
	averages_sc.o \
	bilans.o \
	cartder.o \
	cartprint.o \
	chainbuild.o \
	convert.o \
	cored.o \
	cutoff_violation.o \
	energy_p_new_sc.o \
	func1_sc.o \
	geomout.o \
	gnmr1.o \
	icant.o \
	initialize_p.o \
	intcor.o \
	int_from_cart1.o \
	make_list_sc.o \
	matmult.o \
	minimize.o \
	misc.o \
	mygetenv.o \
	molread_zs.o \
	openunits.o \
	parmread.o \
	pinorm.o \
	printmat.o \
	proc.o \
	ran1.o \
	randgens.o \
	random.o \
	readrtns_MP.o \
	refsys.o \
	rescode.o \
	restart.o \
	rmdd.o \
	scan.o \
	setup_var.o \
	sumsl_a.o \
	sumsld.o \
	thermal.o \
	timing.o \
	maxlikopt.o \
	w2x_eps.o 

objects_compar = \
	fitsq.o \
	lmysort.o \
	q_measure1.o \
	q_measure_self.o \
	readpdb.o \
	readrtns_compar.o \
	rmscalc.o

maxlik: main_opt.o zscorez.o ${objects} ${objects_compar}
	cc -o compinfo compinfo.c
	./compinfo
	${FC} -c ${FFLAGS} cinfo.f
	$(FC) ${OPT} main_opt.o zscorez.o ${objects} ${objects_compar} cinfo.o ${LIBS} \
	 -o ${BIN}/zscorezMD_maxlik-ifort-NEWCORR.exe

zscorez.so: zscorez.F ${objects} ${objects_compar} xdrf/libxdrf.a
	${CC} -o compinfo compinfo.c
	./compinfo
	${FC} -c ${FFLAGS} cinfo.f
	f2py -c -DMPI -DISNAN -DPYTHON --f90exec=${FC} -m zscorez zscorez.F ${objects} ${objects_compar} cinfo.o xdrf/libxdrf.a

main_opt.o: main_opt.F
	${FC} ${FFLAGS} main_opt.F

zscorez.o: zscorez.F
	${FC} ${FFLAGS} zscorez.F

sumsld.o: sumsld.f
	${FC} ${FFLAGS1} sumsld.f

sumsl_a.o: sumsl_a.f
	${FC} ${FFLAGS1} sumsl_a.f

cored.o: cored.f
	${FC} ${FFLAGS1} cored.f

rmdd.o: rmdd.f
	${FC} ${FFLAGS1} rmdd.f

energy_p_new_sc.o: energy_p_new_sc.F
	${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} energy_p_new_sc.F

q_measure1.o: q_measure1.F
	${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} q_measure1.F

q_measure_self.o: q_measure_self.F
	${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} q_measure_self.F

averages.o: averages.F
	${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} averages.F

fitsq.o: fitsq.f
	${FC} ${FFLAGS2} fitsq.f

isnan.o: isnan.f
	${FC} -Kieee -c isnan.f

clean:
	/bin/rm *.o