Hi John,
Ad 1. Say you have changed nwchem/src/ddscf/rohf.F then of course you only want to recompile rohf.F and then relink. To do this you will need to have all the relevant environment variables set (the build_nwchem script in the development version will now write two files, nwchem/nwchem_make_env.sh and nwchem/nwchem_make_env.csh that contain a list of all relevant settings such that in C-shell you can just type
source nwchem/nwchem_make_env.csh
and in Bash you can just type
. nwchem/nwchem_make_env.sh
to load all the environment variables you need to compile NWChem in a way compatible with what the build_nwchem script found). Once you have all the relevant environment variables set you go into the directory where you changed the file (in our example nwchem/src/ddscf) and then issue the following command
make FC=$FC; pushd $NWCHEM_TOP/src; make FC=$FC link; popd
and you will quickly get a new executable.
Best wishes, Huub
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