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DOXYGEN README ============== This directory contains experimental material to generate source code documentation using Doxygen. To generate the source code for all of NWChem documentation run cd $NWCHEM_TOP ./contrib/docygen/run_doxygen To generate documentation for parts of NWChem you can invoke the run_doxygen script in any subdirectory. After this $NWCHEM_TOP/doxydocs/html should contain the source code documentation. At the moment very few files of NWChem have been provided with the appropriate comments. Hence the Doxygen documentation essentially only contains what the tool can extract from the source code itself. More information on Doxygen can be found at: - http://www.stack.nl/~dimitri/doxygen Experience so far has been mixed: - Doxygen requires the right configuration settings to deal with Fortran code. - Doxygen can generate about 4 GB of documentation for the NWChem source tree in about 1 hour and 20 minutes. You can reduce this by using appropriate options, but then the result is also less informative. - Doxygen can generate call treesi, caller trees and other diagrams. However it seems that sometimes nodes are missing from these diagrams. Currently I am guessing that we will need multiple Doxygen configuration files and allow a developer to select one with a command line option on the run_doxygen command line. Different options would then select more or less extensive documentation at different compile time and disk space requirements. INSTALLING DOXYGEN FOR NWCHEM ============================= Prerequisites: Doxygen works best if the graphviz package is available to draw call graphs and such like. It uses the executable "dot". All that is required is to build and install graphviz so that "dot" is in your PATH. I tried Doxygen with graphviz-2.28.0. Installing Doxygen itself is relatively straightforward. Download the Doxygen package of your choice (the version with which I have tested this setup is listed at the top of doxygen.rc). With Doxygen 1.7.6.1 Fortran files with the .F extension were not recognized properly. In Doxygen 1.8.0 this problem has been fixed. To install Doxygen 1.8.0 only the usual steps are required: cd doxygen-<version>/. ./configure --prefix <install dir> make make install After this you should be able to run Doxygen as described at the top of this file. ---- Happy coding, Huub.