Macintosh OS X port?

Kirk Peterson ng570 at
Mon Jul 8 22:11:37 BST 2002


yes, I've put together a port for Molpro to OS X, but it's only
for version 2002.2 and higher.  This is in the standard set
of patches for these versions.  Unfortunately, Molpro also
requires a f90 compiler and so you have to have access to the
commericial (expensive) Absoft one.

The whole thing was a fair amount of work, but if you want to
try it for v2000.1 (which I see you're using below) I could offer 
some help. Of course, I guess there won't be an appropriate parse 
file for that version though, so I think you're stuck until you 
upgrade to v2002.x

best wishes,



Kirk A. Peterson
Associate Professor        
Department of Chemistry    
Washington State University

Office: (509) 376-2023, (509) 372-7282
Fax:    (509) 376-0420
kipeters at

Note: new email address! 
> Has anyone successfully ported Molpro to OS X? I have a loaner machine 
> and I'd like to get Molpro running on it. But when I try and configure 
> the machine, I get error messages along the lines of...
> getmachine was unable to identify your operating system correctly.
> machines.h:355: header file 'malloc.h' not found
> cpp-precomp: warning: errors during smart preprocessing, retrying in 
> basic mode
> f77: unix.o: No such file or directory
> ln: ./machine.exe: No such file or directory
> make: *** [machine.exe] Error 1
> .: no such file or directory: ../CONFIG_FRONT
> ../bin/ctn: .: no such file or directory: 
> /Users/rpm/Documents/Programs/MolPro/molpro2000.1/bin
> /../CONFIG_FRONT [23]
> echo.c: compiling ... failed:
> -c -I. echo.c
> ../bin/ctn: command not found: -c [79]
> ln: ./echo: No such file or directory
> make: *** [echo] Error 1
> utilities/getmachine: no such file or directory: utilities/machine.exe [109]
> Can anyone give me pointers on how to hack around this?
> Thanks in advance...
> Rick
> -- 
> Rick Muller
> rpm at

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