+++ /dev/null
-CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \
- -DPGI -DSPLITELE -DISNAN -DAMD64 \
- -DPROCOR
-# -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-## -DPROCOR
-## -DMOMENT
-#-DCO_BIAS
-#-DCRYST_TOR
-#-DDEBUG
-
-#INSTALL_DIR = /usr/local/mpich-1.2.0
-INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/
-#
-#FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
-FC= ifort
-
-OPT = -O3 -ip -w
-
-FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
-FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
-FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include
-FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
-
-BIN = unres_Tc_procor_new_em64.exe
-#LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich xdrf/libxdrf.a
-#LIBS = -L$(INSTALL_DIR)/lib_ifort -lmpich xdrf/libxdrf.a
-LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf_em64/libxdrf.a -g -d2 -CA -CB
-
-ARCH = LINUX
-PP = /lib/cpp -P
-
-all: unresCSA
-
-.SUFFIXES: .F
-.F.o:
- ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
-
-
-objectCSA = unres_CSA.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 energy_p_new.o gradient_p.o minimize_p.o sumsld.o \
- cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
- mc.o bond_move.o refsys.o check_sc_distr.o contact.o djacob.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 \
- 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.o moments.o int_to_cart.o \
- surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split.o \
- q_measure3.o econstr_local.o gnmr1.o check_sc_map.o check_bond.o
-
-unresCSA: ${objectCSA}
- cc -o compinfo compinfo.c
- ./compinfo
- ${FC} ${FFLAGS} cinfo.f
- ${FC} -static-libcxa ${OPT} ${objectCSA} cinfo.o ${LIBS} -o ${BIN}
- mv ${BIN} ../bin
-
-clean:
- /bin/rm *.o
- /bin/rm *.il
-
-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} ${FFLAGS} ${CPPFLAGS} csa.f
-
-shift.o: shift.F
- ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
-
-ran.o: ran.f
- ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
-
-together.o: together.F
- ${FC} ${FFLAGS} ${CPPFLAGS} together.F
-
-test.o: test.F
- ${FC} ${FFLAGS} ${CPPFLAGS} test.F
-
-chainbuild.o: chainbuild.F
- ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.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.o : readpdb.F
- ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
-
-sumsld.o : sumsld.f
- ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
-
-cored.o : cored.f
- ${FC} ${FFLAGS} ${CPPFLAGS} cored.f
-
-rmdd.o : rmdd.f
- ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
-
-energy_p_new.o : energy_p_new.F
- ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
-
-lagrangian_lesyng.o : lagrangian_lesyng.F
- ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
-
-readrtns_CSA.o : readrtns_CSA.F
- ${FC} ${FFLAGS1} ${CPPFLAGS} readrtns_CSA.F
-
-MREMD.o : MREMD.F
- ${FC} ${FFLAGS1} ${CPPFLAGS} MREMD.F
-
projects / unres.git / blobdiff