MolScript on Linux

Cornelius Krasel krasel at wpxx02.toxi.uni-wuerzburg.de
Tue Oct 14 16:28:18 EST 1997


John Michael Sauder (sauder at polaris.fccc.edu) wrote:
> 	Has anyone successfully compiled MolScript on the Linux platform?
> If so, would you be willing to describe what you had to do to get
> it running?  I'd like to try to install it on either MkLinux running
> on a PowerMac or on Slackware Linux running on a Pentium.

I got molscript to compile with the f2c from Debian 1.1 and fort77
preprocessor by Thomas Koenig?. I had to twiddle a bit with the Makefiles
and to comment out two procedures in system.f (syrand and sytime).

Here is a detailed description of what I did (this was an email to
somebody else):

First, you need something you can compile Molscript with. In my case,
this was a version of f2c, a Fortran-to-C translator. The version I
use is from the Debian distribution and calls itself f2c-960315-2.tar.gz.

Next, although the f2c package contains a front-end for the
translater, I had better experiences with another front-end called
fort77. fort77 is available from about any sunsite mirror. It is
a perl script, i.e. you need perl installed to use it.

In all "makefile"s, you now replace any occurence of f77 with fort77.
This will save you from several error messages :-) 

To compile the forlib, you copy system.inc.sun to system.inc and
system.f.sun to system.f. (You might want to save the old files
somewhere.) In addition, you have to remove the functions SYRAND
and SYTIME from system.f. Then type "make" and ignore all warnings.
You should now have a file forlib.a.

In the directory molscript, you have to remove the -s option from 
the makefile. The diff is:

--- makefile.orig       Sun Jun  1 20:56:44 1997
+++ makefile    Sun Jun  1 20:56:52 1997
@@ -40,7 +40,7 @@

 #-----------------------------------------
 molscript: $(OBJ) $(FLIB)
-       fort77 -s -o molscript $(OBJ) $(FLIB)
+       fort77 -o molscript $(OBJ) $(FLIB)

 molscript.o: molscript.f molscript.inc graphics.inc io.inc scratch.inc \
              molscript.dim

(so the only line you have to change is the one with the - at the front,
 which has to be changed into the one with the + at the front.)

Now type "make" and everything should work fine.

--Cornelius.

-- 
/* Cornelius Krasel, U Wuerzburg, Dept. of Pharmacology, Versbacher Str. 9 */
/* D-97078 Wuerzburg, Germany   email: phak004 at rzbox.uni-wuerzburg.de  SP4 */
/* "Science is the game we play with God to find out what His rules are."  */



More information about the Molmodel mailing list