uploading source code

Makefile

@@ -0,0 +1,111 @@
+####################################
+# begin system-specific settings
+####################################
+#
+######################
+# begin use on HP-Notebook or meta
+######################
+#
+FC = gfortran
+FCFLAGS = -O3 -fbounds-check -fbacktrace -fdump-core -ffpe-trap='invalid','zero','overflow','underflow','precision','denormal' -std=legacy
+LIBS = -llapack
+#
+######################
+# end use on michel 
+######################
+#
+#
+######################
+# begin use on omega 
+######################
+#
+#FC = gfortran
+#FCFLAGS = -O3 -fbounds-check -fbacktrace -fdump-core -ffpe-trap='invalid','zero','overflow','underflow','precision','denormal' -std=gnu
+#LIBS = -L ~/.local/lib -llapack
+#
+######################
+# end use on omega 
+######################
+#
+######################
+# begin use in Halle & Fionn & lonsdale
+######################
+#
+#FC=ifort
+#FCFLAGS=-O3 -align none -mkl 
+#
+######################
+# end use in Halle 
+######################
+#
+#######################
+# begin use on supermuc (LRZ)
+# ######################
+##
+#FC=ifort
+#FCFLAGS=-O3 -align none -mkl 
+#LIBS=-L/lrz/sys/intel/compiler/composer_xe_2015.5.223/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm
+##
+#######################
+## end use on supermuc (LRZ) 
+#######################
+#
+#
+#LIBS = -L ~/.local/lib/liblapack.a ~/.local/lib/libblas.a ~/.local/lib/liblapack.so.3
+#
+##### f95 #############################
+#FC = f95
+#FCFLAGS = -O3 
+#
+####################################
+# end system-specific settings
+####################################
+#
+EXECUTABLE=cofima
+OBJECTS= defs.o combi.o integr.o deriv.o misc.o linalg.o ipol.o transform.o writecoords.o readcoords.o postproc.o convert.o crysanpero.o for_lammps.o for_mbpp.o for_gulp.o for_dlpoly.o replace.o cutmod.o distri.o aver.o md.o mult.o cluster.o gaussians.o madelung.o symmetry.o help_cofima.o cofima.o
+
+all: $(OBJECTS)
+ $(FC) $(FCFLAGS) -o $(EXECUTABLE) $(OBJECTS) $(LIBS)
+
+cofima: $(OBJECTS) 
+ $(FC) $(FCFLAGS) -o $@ $(OBJECTS) $(LIBS)
+
+clean:
+ rm -rf *o *.mod $(EXECUTABLE)
+
+# dependencies:
+misc.o: defs.f combi.f
+combi.o: defs.f
+deriv.o: defs.f
+integr.o: combi.f defs.f
+ipol.o: defs.f linalg.f
+for_lammps.o: defs.f misc.f
+for_mbpp.o: defs.f misc.f
+for_gulp.o: defs.f misc.f
+for_dlpoly.o: defs.f
+crysanpero.o: defs.f
+transform.o: defs.f 
+writecoords.o: defs.f transform.f
+readcoords.o: defs.f writecoords.f misc.f
+mult.o: defs.f readcoords.f writecoords.f
+postproc.o: defs.f misc.f readcoords.f linalg.o transform.o
+convert.o: defs.f readcoords.f writecoords.f
+cutmod.o: defs.f readcoords.f writecoords.f misc.f replace.f
+distri.o: defs.f readcoords.f writecoords.f
+aver.o: readcoords.f
+linalg.o: defs.f combi.f misc.f
+md.o: defs.f misc.f
+replace.o:defs.f readcoords.f misc.f writecoords.f
+cluster.o: misc.f replace.f
+gaussians.o: defs.f integr.f
+madelung.o: defs.f
+symmetry.o: defs.f misc.f transform.f writecoords.f
+cofima.o: defs.f convert.f deriv.f integr.f ipol.f linalg.f misc.f postproc.f crysanpero.f for_lammps.f for_mbpp.f for_gulp.f for_dlpoly.f transform.f mult.f cutmod.f distri.f aver.f md.f replace.f cluster.o writecoords.f readcoords.f gaussians.f madelung.f help_cofima.f symmetry.f
+
+
+#%.o: %.f
+# $(FC) -c $(FCFLAGS) $<
+
+.o: 
+ $(FC) -c $(FCFLAGS) $<
+