INSTALL_DIR = /users/local/mpich-3.3.1_intel

FC= ${INSTALL_DIR}/bin/mpif90

OPT  = -O3 -ip -mcmodel=medium 
OPTE = -O3 -ipo -mcmodel=medium
OPT2 = -O2 -ip -mcmodel=medium
OPT0 = -g -O0 -mcmodel=medium 
OPTE = -c  -O3 -ipo  -mcmodel=medium -shared-intel -dynamic

FFLAGS  = -c ${OPT} -I$(INSTALL_DIR)/include 
FFLAGSE = ${OPTE} -I$(INSTALL_DIR)/include
FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include  
FFLAGS1 = ${FFLAGS}
FFLAGS0 = -c ${OPT0} -I$(INSTALL_DIR)/include  

LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
#/opt/cray/mpt/7.3.2/gni/mpich-intel/15.0/lib/libmpich.a

ARCH = LINUX
PP = /lib/cpp -P


all: no_option
	@echo "Specify force field: GAB, 4P or E0LL2Y"

.SUFFIXES: .F
.F.o:
	${FC} ${FFLAGS} ${CPPFLAGS} $*.F


object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
        matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
        pinorm.o randgens.o rescode.o intcor.o timing.o misc.o \
        cart2intgrad.o checkder_p.o contact_cp.o econstr_local.o econstr_qlike.o \
	econstrq-PMF.o PMFprocess.o energy_p_new_barrier.o make_xx_list.o \
	energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
        cored.o rmdd.o geomout.o readpdb-mult.o int_from_cart.o regularize.o \
	thread.o fitsq.o mcm.o rmscalc.o \
        mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o \
        eigen.o blas.o add.o entmcm.o minim_mcmf.o \
        together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
        indexx.o MP.o compare_s1.o prng_32.o \
        banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
        sc_move.o local_move.o djacob.o \
        intcartderiv.o lagrangian_lesyng.o\
	chain_symmetry.o permut.o seq2chains.o iperm.o\
	stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
        surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
	q_measure.o gnmr1.o mygauss.o ssMD.o

object_lbfgs = inform.o iounit.o keys.o linmin.o math.o minima.o scales.o output.o lbfgs.o search.o optsave_dum.o

no_option:

GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY
GAB: BIN = ~/bin/unres-ms_ifort_MPICH_GAB-HCD.exe
GAB: ${object} xdrf/libxdrf.a
	gcc -o compinfo compinfo.c
	./compinfo | true
	${FC} ${FFLAGS} cinfo.f
	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}

4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY
4P: BIN = ~/bin/unres-ms_KCC_ifort_MPICH_4P-HCD.exe
4P: ${object} xdrf/libxdrf.a
	gcc -o compinfo compinfo.c
	./compinfo | true
	${FC} ${FFLAGS} cinfo.f
	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}

E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
	-DSPLITELE -DLANG0 -DFOURBODY
E0LL2Y: BIN = ~/bin/unres-ms_ifort_MPICH_E0LL2Y-HCD.exe
E0LL2Y: ${object} xdrf/libxdrf.a
	gcc -o compinfo compinfo.c
	./compinfo | true
	${FC} ${FFLAGS} cinfo.f
	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}

NEWCORR: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD #-DFOURBODY #-DMYGAUSS #-DTIMING
NEWCORR: BIN = ~/bin/unres-ms_ifort_MPICH_SC-HCD.exe
NEWCORR: ${object} xdrf/libxdrf.a
	gcc -o compinfo compinfo.c
	./compinfo | true
	${FC} ${FFLAGS} cinfo.f
	${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}

NEWCORR5D: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG -DLBFGS #-DMYGAUSS #-DTIMING
NEWCORR5D: BIN = ~/bin/unres-ms_ifort_MPICH_SC-HCD5.exe
NEWCORR5D: ${object_lbfgs} ${object} fdisy.o fdiag.o machpd.o kinetic_CASC.o xdrf/libxdrf.a
	gcc -o compinfo compinfo.c
	./compinfo | true
	${FC} ${FFLAGS} cinfo.f
	${FC} ${OPT} ${object} ${object_lbfgs} fdisy.o fdiag.o machpd.o kinetic_CASC.o cinfo.o ${LIBS} -o ${BIN}

NEWCORR_DFA: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DDFA #-DMYGAUSS #-DTIMING
NEWCORR_DFA: BIN = ~/bin/unres-ms_ifort_MPICH_SC-HCD-DFA.exe
NEWCORR_DFA: ${object} dfa.o xdrf/libxdrf.a
	gcc -o compinfo compinfo.c
	./compinfo | true
	${FC} ${FFLAGS} cinfo.f
	${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}

NEWCORR5D_DFA: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
	-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG -DLBFGS -DDFA #-DMYGAUSS #-DTIMING
NEWCORR5D_DFA: BIN = ~/bin/unres-ms_ifort_MPICH_SC-HCD5-DFA.exe
NEWCORR5D_DFA: ${object_lbfgs} ${object} dfa.o fdisy.o fdiag.o machpd.o kinetic_CASC.o xdrf/libxdrf.a
	gcc -o compinfo compinfo.c
	./compinfo | true
	${FC} ${FFLAGS} cinfo.f
	${FC} ${OPT} ${object_lbfgs} ${object} fdisy.o fdiag.o machpd.o dfa.o kinetic_CASC.o cinfo.o ${LIBS}  -o ${BIN}

xdrf/libxdrf.a:
	cd xdrf && make


clean:
	/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean

test.o: test.F
	${FC} ${FFLAGS} ${CPPFLAGS} test.F

chainbuild.o: chainbuild.F
	${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F

djacob.o: djacob.f
	${FC} ${FFLAGS0} djacob.f

matmult.o: matmult.f
	${FC} ${FFLAGS} ${CPPFLAGS} matmult.f

parmread.o : parmread.F
	${FC} ${FFLAGS} ${CPPFLAGS} parmread.F

intcor.o : intcor.f
	${FC} ${FFLAGS} ${CPPFLAGS} intcor.f

cartder.o : cartder.F
	${FC} ${FFLAGS} ${CPPFLAGS} cartder.F

readpdb-mult.o : readpdb-mult.F
	${FC} ${FFLAGS0} ${CPPFLAGS} readpdb-mult.F

sumsld.o : sumsld.f
	${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f

rmscalc.o : rmscalc.F
	${FC} ${FFLAGS2} ${CPPFLAGS} rmscalc.F
        
cored.o : cored.f
	${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
 
rmdd.o : rmdd.f
	${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f

energy_p_new_barrier.o : energy_p_new_barrier.F
	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F

gradient_p.o : gradient_p.F
	${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F

energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F

lagrangian_lesyng.o : lagrangian_lesyng.F
	${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F

MD_A-MTS.o : MD_A-MTS.F
	${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F

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

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

eigen.o : eigen.f
	${FC} ${FFLAGS0} eigen.f

dfa.o: dfa.F
	${FC} ${CPPFLAGS} ${FFLAGS} dfa.F

proc_proc.o: proc_proc.c
	${CC} ${CFLAGS} proc_proc.c