Daylight Worksheet - Compiling the contrib code

There is much useful code in the Daylight contrib directory, some useful as-is, and some useful as building blocks. This code also serves as examples of function usage and syntax.

1. Let's compile one of the contrib directories. First we have to copy the files to our own directory.

   mkdir $HOME/toolkit/thor
cd $DY_ROOT/contrib/src/c/thor
cp * $HOME/toolkit/thor
cd $HOME/toolkit/thor
make


2. Examine the makefile. Note the following:
   • The machine dependent file makefile_include is included in this not-machine-dependent file.
   • The following Daylight object libraries are linked to make the executable, in this order: libdu.a, libdt_thor.a, libdt_datatype.a, libdt_ipcx.a, libdt_monomer.a and libdt_smiles.a. This order is significant since functions must be linked after calls dependent upon them.
   • Each program has an entry to define its dependencies, and provide a rule for making it. Daylight makefiles also often have a macro definition grouping the needed objects for convenience.

3. Copy the new program thorsearch.c into this directory. Modify the makefile to incorporate this program. This involves adding the program name to the all: line via the PROGS macro and adding dependency and rule lines, such as:

   TLOBJS = thorload.o
thorload: $(TLOBJS)
(tab here) $(CC) -o $@ $(CFLAGS) $(TLOBJS) $(LIBS) $(SYSLIBS)


4. Now try to make thorsearch and test the program.