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Date: Sat, 24 Jun 1995 15:13:49 +0200
To: Masakatsu Ito <mito@aqua.chem.nagoya-u.ac.jp>
From: hommes@derioc1.organik.uni-erlangen.de (Nico van Eikema Hommes)
Subject: Re: CCL:g94 on HP9000/735: makefile patch included
Cc: CHEMISTRY@ccl.net


      Hi Masakatsu, and CCL readers!

> Has anyone had an experience of installing g94 on hp?

Sure, and it works after correcting the file hp700.make in the bsd
subdirectory. If you have Larry Wall's program "patch" installed, then
you can automagically correct the makefile. Save the part between the
"===" lines to a file called hpmake.patch in the bsd subdirectory, and
type the following command:

patch < hpmake.patch

This will generate a correct makefile. If you don't have patch, then you
must use an editor to change the lines marked with the "!".
You may, in addition, want to correct the compiler options for the new
compiler (i.e. replace the +Obb2000 by +Onolimit), but this is not essential.

Good luck!

         Nico van Eikema Hommes
===============================================================================
*** hp700.make.orig     Sat Jun 24 14:57:06 1995
--- hp700.make  Sat Jun 24 15:00:05 1995
***************
*** 324,330 ****

  l1014.exe: $(GAULIB) $(EXTOBJ) l1112.a l1014.a main.a l914.a
        $(RUNAR) x main.a m$*.o
!       $(RUNLD) -o l1014.exe ml1014.o $(EXTOBJ) l1014.a l1112.a l914.aw $(LDFLA
GS)
        rm -f ml1014.o

  l9999.exe: $(GAULIB) $(EXTOBJ) l9999.a dummy.o dummy-narch.o main.a
--- 326,332 ----

  l1014.exe: $(GAULIB) $(EXTOBJ) l1112.a l1014.a main.a l914.a
        $(RUNAR) x main.a m$*.o
!       $(RUNLD) -o l1014.exe ml1014.o $(EXTOBJ) l1014.a l1112.a l914.a $(LDFLAG
S)
        rm -f ml1014.o

  l9999.exe: $(GAULIB) $(EXTOBJ) l9999.a dummy.o dummy-narch.o main.a
***************
*** 531,561 ****
  mdutil.o: $(BSDDIR)/mdutil.c
        $(RUNCC) $(CFLAGS) -c $(BSDDIR)/mdutil.c

! newzmat-bsd.o: $(BSDDIR)/newzmat-bsd.f
!       $(RUNCPP) $(PFLAGS) $(BSDDIR)/newzmat-bsd.f $*.f
!       $(RUNF77) -c $(FFLAGS) $*.f
!       rm -f $*.f

! testrt.o: $(BSDDIR)/testrt.f
!       $(RUNCPP) $(PFLAGS) $(BSDDIR)/testrt.f $*.f
!       $(RUNF77) $(FFLAGS) $*.f
!       rm -f $*.f

  formchk.o newzmt.o:
!       make $(MAKELOC) -e $*.f
        $(RUNF77) $(FFLAGS) $(STATIC) $*.f
!       crm $*.f
  #
  #  Compilation problems
  boggri.o gparse.o diskri.o dgstri.o prism.o :
        $(RUNCPP) $(PFLAGS) $*.F $*.f
!       $(RUNF77) $(NO_OPT) $*.F
!       rm -f $*.F

  twod4c.o eroute.o rtedef.o mbld2.o jobopt.o:
        $(RUNCPP) $(PFLAGS) $*.F $*.f
!       $(RUNF77) $(OBB_OPT) $*.F
!       rm -f $*.F

  chainx.o genl2e.o hpppp.o twlhes.o sd5ds5.o dd1.o dd1r.o dd2.o ss3.o ump41r.o
zdd2.o zss3.o:
        $(RUNCPP) $(PFLAGS) $*.F $*.f
--- 533,563 ----
  mdutil.o: $(BSDDIR)/mdutil.c
        $(RUNCC) $(CFLAGS) -c $(BSDDIR)/mdutil.c

! newzmat-bsd.o: $(BSDDIR)/newzmat-bsd.F
!       $(RUNCPP) $(PFLAGS) $(BSDDIR)/newzmat-bsd.F newzmat-bsd.f
!       $(RUNF77) -c $(FFLAGS) newzmat-bsd.f
!       rm -f newzmat-bsd.f

! testrt.o: $(BSDDIR)/testrt.F
!       $(RUNCPP) $(PFLAGS) $(BSDDIR)/testrt.F testrt.f
!       $(RUNF77) $(FFLAGS) testrt.f
!       rm -f testrt.f

  formchk.o newzmt.o:
!       $(RUNCPP) $(PFLAGS) $*.F $*.f
        $(RUNF77) $(FFLAGS) $(STATIC) $*.f
!       rm -f $*.f
  #
  #  Compilation problems
  boggri.o gparse.o diskri.o dgstri.o prism.o :
        $(RUNCPP) $(PFLAGS) $*.F $*.f
!       $(RUNF77) $(NO_OPT) $*.f
!       rm -f $*.f

  twod4c.o eroute.o rtedef.o mbld2.o jobopt.o:
        $(RUNCPP) $(PFLAGS) $*.F $*.f
!       $(RUNF77) $(OBB_OPT) $*.f
!       rm -f $*.f

  chainx.o genl2e.o hpppp.o twlhes.o sd5ds5.o dd1.o dd1r.o dd2.o ss3.o ump41r.o
zdd2.o zss3.o:
        $(RUNCPP) $(PFLAGS) $*.F $*.f
================================================================================

--
  Dr. N.J.R. van Eikema Hommes     Computer-Chemie-Centrum
  hommes@ccc.uni-erlangen.de       Universitaet Erlangen-Nuernberg
  Phone:    +49-(0)9131-856532     Naegelsbachstr. 25
  FAX:      +49-(0)9131-856566     D-91052 Erlangen, Germany