1. Line 15: set the "TARGET" to "linux-pc".
2. Line 16: replace the "/u1/mike/gamess" with the root directory of your GAMESS package.
3. Line 34: set "CCOMP" to "pgcc".
   Note: You may need to explicitly set your PATH environment variable as well
   setenv PATH $PATH\:/usr/pgi/linux86/[5.1|5.2]/bin #Set to your path
4. If using IPA, add the "-fast -Mipa=fast,safe" options to the compilation of zunix (line 66), ddikick (line 132), and ddisoc (line 133).  The actual  option used should match the options you use in compiling the Fortran source (See below).
   

1. Line 17: set the "TARGET" to "linux-pc".
2. Line 18: replace the "/u1/mike/gamess" with the root directory of your GAMESS package.
3. Line 44: If you wish to use BLAS library, i.e. "-lblas", set "BLAS3=true".
4. Comment out lines 763 to 777 (g77 configuration)
5. Add the following under the Portland Group compiler section (line 842):

   if ($TARGET == linux-pc) then
      setenv PATH $PATH\:/usr/pgi/linux86/5.1/bin #Set to your path
      set OPT = '-fast'
      if ($MODULE == qeigen) then
         mv qeigen.f qeigen.junk
         sed -e "s/Q-/D-/g" \
             -e "s/Q+00/D+00/g" \
             -e "s/REAL\*16/DOUBLE PRECISION/" qeigen.junk > qeigen.f
         rm -f qeigen.junk
      endif
      set echo
      # Compile in the object directory
      mv $MODULE.f object/$MODULE.f
      chdir object
      pgf90 $OPT -Mfixed -c $MODULE.f
      chdir ../
      unset echo
   endif

   Be sure to change your path to the location of the PGI compilers.

   Note that we have modified the script to build objects in the object directory to facilitate the use of IPA.  At line 1130, the scripts attempts to copy the object file from the base directory to the object directory.  Since the object file does not exist in the base directory, an error will be emitted.  You can either comment out line 1130 or ignore the error.

   Set your options as needed.  We recommend using "-fast".  See Known Issues for more information about known optimization issues. You can use either pgf77 or pgf90.  Remove "-Mfixed" if you prefer pgf77.

  #define SOC_INIT soc_init__

  #define SOC_INIT soc_init_

1. Line 17: set the "TARGET" to "linux-pc".
2. Line 18: replace the "/u1/mike/gamess" with the root directory of your GAMESS package.
3. Line 279: set the "LDR" to either pgf77 or pgf90.
4. Line 280: set the "LDOPTS" to the same options you used in the "comp" script and add "-lblas -lpthread". We recommend using "-fast -lblas -lpthread".
5. Line 289: set "QUICHE" to 'zunix.o' by removing 'endfile.o'.
6. Line 290: Add the following two lines when using the "-lblas" library:

   set BLAS=' '                      # or set BLAS='blas.o' if BLAS3=false in comp

   set LIBRARIES=' '

7. You may also need to explicitly set your path to the compiler binaries:

   setenv PATH $PATH\:/usr/pgi/linux86/[5.1|5.2]/bin #Set to your path

1. Determine where your scratch directory is located. For our testing purposes, we created a "scr" directory in the local gamess directory. Set the "SCR" variable (line 33) to this directory. Note that this should be an absolute path.
2. In the file assignment section, you should change files starting with "~/scr" to the actual directory location. For our tests, we used the local scr directory.
3. Line 227: Set the "GMSPATH" to the location of the ddikick and gamess executables.

1. Configure your installation as described in the Configuration Section.
   
2. Build the activate utility in the tools directory:
   cd tools
   cp actvte.code actvte.f
   vi actvte.f
   :%s/^\*UNX/    / <--- 4 blanks between the strokes
   :wq
   pgf77 -o actvte.x actvte.f
   rm actvte.f
   cd ../
3. Type "compall" from the command line to compile the source.
4. Compile the "zheev.f" file in the object directory with your options plus "-Kieee" if using >= "-O2".
   
5. 5.1 only: Compile the "nameio.f" file in the object directory without "-Mipa=[option]" if using IPA.
   -- See Known Issues for more information about these work arounds.
6. Type "lked" from the command line to link the source.
7. 5.1 only: Repeat steps 3-6 when using IPA.