FC= gfortran FFLAGS = -c ${OPT} -I. FFLAGS1 = -c ${OPT1} -I. CC = cc CFLAGS = -DLINUX -DPGI -c OPT = -O -fbounds-check -g OPT1 = -g #OPT = -fbounds-check -g #OPT1 = -g # -Mvect <---slows down # -Minline=name:matmat2 <---false convergence LIBS = -Lxdrf -lxdrf #-DMOMENT #-DCO_BIAS #-DCRYST_TOR #-DDEBUG ARCH = LINUX PP = /lib/cpp -P all: @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 intlocal.o \ cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \ energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \ cored.o rmdd.o geomout.o readpdb.o permut.o regularize.o thread.o fitsq.o mcm.o \ mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \ eigen.o blas.o add.o entmcm.o \ csa.o checkvar.o shift.o diff12.o ran.o \ indexx.o MP.o compare_s1.o prng_32.o \ test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \ sc_move.o local_move.o \ intcartderiv.o lagrangian_lesyng.o\ stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \ surfatom.o sort.o muca_md.o rattle.o gauss.o energy_split-sep.o \ q_measure.o gnmr1.o ssMD.o no_option: GAB: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN \ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC GAB: BIN = ../../../bin/unres/MD/unres-mult-symetr_gfortran_single_GAB.exe GAB: ${object} xdrf/libxdrf.a cc -o compinfo compinfo.c ./compinfo | true ${FC} ${FFLAGS} cinfo.f ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} 4P: CPPFLAGS = -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN \ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 4P: BIN = ../../../bin/unres/MD/unres-mult-symetr_gfortran_single_4P.exe 4P: ${object} xdrf/libxdrf.a cc -o compinfo compinfo.c ./compinfo | true ${FC} ${FFLAGS} cinfo.f ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN \ -DSPLITELE -DLANG0 E0LL2Y: BIN = ../../../bin/unres/MD/unres-mult-symetr_gfortran_single_E0LL2Y.exe E0LL2Y: ${object} xdrf/libxdrf.a cc -o compinfo compinfo.c ./compinfo | true ${FC} ${FFLAGS} cinfo.f ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} xdrf/libxdrf.a: cd xdrf && make clean: /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean newconf.o: newconf.F ${FC} ${FFLAGS} ${CPPFLAGS} newconf.F bank.o: bank.F ${FC} ${FFLAGS} ${CPPFLAGS} bank.F diff12.o: diff12.f ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f csa.o: csa.f ${FC} ${FFLAGS1} ${CPPFLAGS} csa.f shift.o: shift.F ${FC} ${FFLAGS1} ${CPPFLAGS} shift.F ran.o: ran.f ${FC} ${FFLAGS1} ${CPPFLAGS} ran.f together.o: together.F ${FC} ${FFLAGS} ${CPPFLAGS} together.F fitsq.o: fitsq.f ${FC} ${FFLAGS1} ${CPPFLAGS} fitsq.f rmsd.o: rmsd.F ${FC} ${FFLAGS1} ${CPPFLAGS} rmsd.F contact.o: contact.f ${FC} ${FFLAGS1} ${CPPFLAGS} contact.f minim_jlee.o: minim_jlee.F ${FC} ${FFLAGS1} ${CPPFLAGS} minim_jlee.F minimize_p.o: minimize_p.F ${FC} ${FFLAGS1} ${CPPFLAGS} minimize_p.F gen_rand_conf.o: gen_rand_conf.F ${FC} ${FFLAGS} ${CPPFLAGS} gen_rand_conf.F test.o: test.F ${FC} ${FFLAGS1} ${CPPFLAGS} test.F elecont.o: elecont.f ${FC} ${FFLAGS} ${CPPFLAGS} elecont.f eigen.o: eigen.f ${FC} ${FFLAGS1} eigen.f blas.o: blas.f ${FC} ${FFLAGS1} blas.f add.o: add.f ${FC} ${FFLAGS1} add.f proc_proc.o: proc_proc.c ${CC} ${CFLAGS} proc_proc.c