$ set nover $! $! VMS dcl script to compile PSI/88. $! $! If you rename the fortran files from *.f to *.for, then remove the $! .f from the lines below. UNIX will not allow any other extension $! than .f for fortran files, VMS will, so I named all of the source $! files with the UNIX extensions. $! $! Rather than "hard-code" a directory to put the executables in, $! when the compilation is complete, the executables will need to be $! moved to the desired directory (if different from the source). $! $! Usage: @makepsi [ psi1 | psicon | psi2 | all ] $! $! The default is all. $! $ p2=p1 $ if p1.eqs."" then p2="ALL" $ if p2.eqs."ALL" then goto cmppreplot $ goto cmp'p1 $ cmppreplot: $ write sys$output "Compiling and linking Preplot." $ fortran preplot.f $ link preplot $ write sys$output "Preplot made." $ if p2.nes."ALL" then goto exit $ cmppsi1: $ write sys$output "Compiling and linking Psi1/88." $ fortran psi1.f $ link psi1 $ write sys$output "Psi1/88 made." $ if p2.nes."ALL" then goto exit $ cmppsicon: $ write sys$output "Compiling and linking Psicon/88." $ fortran psicon.f $ link psicon $ write sys$output "Psicon/88 made." $ if p2.nes."ALL" then goto exit $ cmppsi2: $! $! You will need to link in some sort of graphics library to use PSI2/88 $! I have included a GKS library using the GKS fortran binding. $! $! a routine to write out a Chemtext metafile $! a routine to write out a postscript file and $! a routine to write out a HPGL plot file $! $ write sys$output "Compiling and linking Psi2/88." $ fortran psi2.f $ fortran gksplot.f $ fortran ctplot.f $ fortran psplot.f $ fortran hpplot.f $! $ link psi2,gksplot,sys$library:gksforbnd/lib !psi2.exe (GKS) $ link psi2,ctplot/exe=psi2ct.exe !psi2ct.exe (ChemText) $ link psi2,psplot/exe=psi2ps.exe !psi2ps.exe (PostScript) $ link psi2,hpplot/exe=psi2hp.exe !psi2hp.exe (HPGL) $ write sys$output "Psi2/88 made." $ delete/noconf *.obj*;* $ exit: $ exit