--- /dev/null
+INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+#BIN=../bin
+#FC = ifort
+FC= ${INSTALL_DIR}/bin/mpif90
+OPT = -O3 -ip -w
+DEB = -g -CA -CB -check pointer #-check uninit
+#OPT = -O3 #-ip
+FFLAGS = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
+FFLAGSE = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
+FFLAGS2 = -fpp -c -g -CA -CB #-O0
+#OPT = -CB -g
+#FFLAGS = ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
+#CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI
+#LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
+
+#.c.o:
+# cc -c -DLINUX -DPGI $*.c
+
+#.f.o:
+# ${FC} ${FFLAGS} $*.f
+
+#.F.o:
+# ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
+#UNRES_FILE= ../../UNRESS/unres_f90/source/unres_MD-M
+UNRES_FILE= ../unres_MD-M
+WHAM_FILE= ../wham
+
+data = clust_data.o
+#w_compar_data.o w_comm_local.o
+
+objects_unres = xdrf/*.o names.o io_units.o control_data.o calc_data.o \
+ compare_data.o control_data.o minim_data.o MD_data.o\
+ energy_data.o geometry_data.o MPI_data.o MCM_data.o comm_local.o math.o geometry.o \
+ io_base.o energy.o regularize.o control.o io_config.o # compare.o
+
+#compare_data.o control_data.o minim_data.o CSA_data.o
+objects_wham = wham_data.o conform_compar.o io_wham.o work_partition.o
+
+objects = track.o hc.o io_clust.o probabl.o cluster.o
+
+all: no_option
+ @echo "Specify force field: GAB or E0LL2Y"
+
+no_option:
+
+
+#objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
+ matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o \
+ geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o \
+ track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
+ int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
+ setup_var.o read_ref_str.o gnmr1.o permut.o
+
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DCLUSTER
+GAB: EXE_FILE = ../../bin/cluster_GAB_F90_EL.exe
+GAB: ${data} ${objects_unres} ${objects_wham} ${objects}
+ $(FC) ${OPT} ${data} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
+# $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-GAB.exe
+
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0 -DCLUSTER
+E0LL2Y: EXE_FILE = ../../bin/cluster_E0LL2Y_F90_EL.exe
+E0LL2Y: ${data} ${objects_unres} ${objects_wham} ${objects}
+ $(FC) ${OPT} ${data} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
+# $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-E0LL2Y.exe
+
+xdrf/*.o:
+ cd xdrf && make
+
+clean:
+ rm -f *.o && rm -f *.mod && rm -f compinfo && cd xdrf && make clean
+# rm -f *.o && rm -f *.mod && rm ${EXE_FILE} && rm -f compinfo && cd xdrf && make clean
+
+
+clust_data.o: clust_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} clust_data.f90
+
+wham_data.o: ${WHAM_FILE}/wham_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/wham_data.f90
+
+w_compar_data.o: w_compar_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} w_compar_data.f90
+
+w_comm_local.o: w_comm_local.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} w_comm_local.f90
+
+
+names.o: ${UNRES_FILE}/names.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/names.f90
+
+io_units.o: ${UNRES_FILE}/io_units.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_units.f90
+
+calc_data.o: ${UNRES_FILE}/calc_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/calc_data.f90
+
+compare_data.o: ${UNRES_FILE}/compare_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare_data.f90
+
+control_data.o: ${UNRES_FILE}/control_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control_data.f90
+
+CSA_data.o: ${UNRES_FILE}/CSA_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA_data.f90
+
+energy_data.o: ${UNRES_FILE}/energy_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/energy_data.f90
+
+geometry_data.o: ${UNRES_FILE}/geometry_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry_data.f90
+
+map_data.o: ${UNRES_FILE}/map_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map_data.f90
+
+MCM_data.o: ${UNRES_FILE}/MCM_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_data.f90
+
+MD_data.o: ${UNRES_FILE}/MD_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MD_data.f90
+
+minim_data.o: ${UNRES_FILE}/minim_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/minim_data.f90
+
+MPI_data.o: ${UNRES_FILE}/MPI_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI_data.f90
+
+REMD_data.o: ${UNRES_FILE}/REMD_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/REMD_data.f90
+
+comm_local.o: ${UNRES_FILE}/comm_local.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/comm_local.f90
+
+prng_32.o: ${UNRES_FILE}/prng_32.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/prng_32.f90
+
+math.o: ${UNRES_FILE}/math.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/math.f90
+
+random.o: ${UNRES_FILE}/random.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/random.f90
+
+geometry.o: ${UNRES_FILE}/geometry.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry.f90
+
+md_calc.o: ${UNRES_FILE}/md_calc.f90
+ ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/md_calc.f90
+
+io_base.o: ${UNRES_FILE}/io_base.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_base.f90
+
+energy.o: ${UNRES_FILE}/energy.f90
+ ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/energy.f90
+
+check_bond.o: ${UNRES_FILE}/check_bond.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/check_bond.f90
+
+control.o: ${UNRES_FILE}/control.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control.f90
+
+io_config.o: ${UNRES_FILE}/io_config.f90
+ ${FC} ${FFLAGS2} ${CPPFLAGS} ${UNRES_FILE}/io_config.f90
+
+MPI.o: ${UNRES_FILE}/MPI.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI.f90
+
+minim.o: ${UNRES_FILE}/minim.f90
+ ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/minim.f90
+
+regularize.o: ${UNRES_FILE}/regularize.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/regularize.f90
+
+compare.o: ${UNRES_FILE}/compare.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare.f90
+
+map.o: ${UNRES_FILE}/map.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map.f90
+
+muca_md.o: ${UNRES_FILE}/muca_md.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/muca_md.f90
+
+REMD.o: ${UNRES_FILE}/REMD.f90
+ ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/REMD.f90
+
+MCM_MD.o: ${UNRES_FILE}/MCM_MD.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_MD.f90
+
+io.o: ${UNRES_FILE}/io.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io.f90
+
+MD.o: ${UNRES_FILE}/MD.f90
+ ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/MD.f90
+
+MREMD.o: ${UNRES_FILE}/MREMD.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MREMD.f90
+
+CSA.o: ${UNRES_FILE}/CSA.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA.f90
+
+unres.o: ${UNRES_FILE}/unres.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/unres.f90
+
+
+proc_proc.o: proc_proc.c
+ ${CC} ${CPPFLAGS} -O -c proc_proc.c
+
+io_database.o: io_database.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} io_database.f90
+
+io_wham.o: ${WHAM_FILE}/io_wham.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/io_wham.f90
+
+conform_compar.o: ${WHAM_FILE}/conform_compar.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/conform_compar.f90
+
+enecalc.o: enecalc.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} enecalc.f90
+
+wham_calc.o: wham_calc.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} wham_calc.f90
+
+work_partition.o: ${WHAM_FILE}/work_partition.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/work_partition.f90
+
+wham.o: wham.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} wham.f90
+
+probabl.o: probabl.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} probabl.f90
+
+track.o: track.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} track.f90
+
+hc.o: hc.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} hc.f90
+
+io_clust.o: io_clust.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} io_clust.f90
+
+cluster.o: cluster.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} cluster.f90
projects / unres4.git / blobdiff