X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_Eshel%2FMakefile_single_gfortran;fp=source%2Funres%2Fsrc_Eshel%2FMakefile_single_gfortran;h=b04dc55e18b7af05879e84917a0e70c54b2da822;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_Eshel/Makefile_single_gfortran b/source/unres/src_Eshel/Makefile_single_gfortran new file mode 100644 index 0000000..b04dc55 --- /dev/null +++ b/source/unres/src_Eshel/Makefile_single_gfortran @@ -0,0 +1,128 @@ +FC= gfortran +FFLAGS = -c ${OPT} -I. +FFLAGS1 = -c ${OPT1} -I. + +CC = cc + +CFLAGS = -DLINUX -DPGI -c + +OPT = -O +#OPT1 = -fbounds-check -g -O + +#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 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.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 \ + gradient_p.o minimize_p.o sumsld.o \ + cored.o rmdd.o geomout.o readpdb.o regularize.o fitsq.o \ + bond_move.o refsys.o check_bond.o contact.o \ + MP.o prng.o \ + rmsd.o elecont.o dihed_cons.o \ + sc_move.o local_move.o \ + intcartderiv.o \ + int_to_cart.o \ + gnmr1.o djacob.o openunits.o + +GAB: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \ + -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC +GAB: BIN = ../../../bin/unres/MD/unres_gfortran_single_decoy_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} + +E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \ + -DSPLITELE -DLANG0 +E0LL2Y: BIN = ../../../bin/unres/MD/unres_gfortran_single_decoy_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