Version bump and cleaned up unused patches.

(Portage version: 2.1.2.3)

6 files changed, 69 insertions, 271 deletions

diff --git a/sci-chemistry/gamess/files/comp-lked-20060222.2.patch b/sci-chemistry/gamess/files/comp-lked-20060222.2.patch
deleted file mode 100644
index 47e2bb016e4d..000000000000
--- a/sci-chemistry/gamess/files/comp-lked-20060222.2.patch
+++ /dev/null
@@ -1,106 +0,0 @@
-diff -Naur gamess-old/comp gamess/comp
---- gamess-old/comp	2006-03-13 16:09:11.000000000 -0600
-+++ gamess/comp	2006-03-21 22:26:13.000000000 -0600
-@@ -11,8 +11,8 @@
- #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
- #  2. Choose your GAMESS directory tree.
- #
--set TARGET=ibm64
--chdir /u1/mike/gamess
-+set TARGET=linux-pc
-+#chdir /u1/mike/gamess
- #
- #    ---- and now the script begins...
- #
-@@ -1056,9 +1056,9 @@
- #   Pentium II fractionally).  None of these optimizations are used below.
- #
- if ($TARGET == linux-pc) then
--   set OPT = '-O2'
-+   set gentoo-OPT = '-O2'
-    if ($MODULE == ormas1) set OPT='-O2 -fno-move-all-movables' # RH9, g77 3.3
--   if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling, for exam19
-+   if ($MODULE == zheev)  set OPT='-O0 -w'  # defensive compiling, for exam19
- #
- #   g77 does not support FORTRAN logical units above 99, or 128 bit math.
- #
-@@ -1069,13 +1069,8 @@
-           -e "s/REAL\*16/DOUBLE PRECISION/" $MODULE.junk > $MODULE.f
-       rm -f $MODULE.junk
-    endif
--   if (($MODULE == iolib) || ($MODULE == inputa)) then
--      mv $MODULE.f $MODULE.junk
--      sed -e "s/MXUNIT=299/MXUNIT=99/g" $MODULE.junk > $MODULE.f
--      rm -f $MODULE.junk
--   endif
-    set echo
--   g77 -c $OPT -malign-double -fautomatic \
-+   gentoo-g77 -c $OPT -malign-double -fautomatic \
-            -Wno-globals -fno-globals $MODULE.f
-    unset echo
- endif
-diff -Naur gamess-old/compall gamess/compall
---- gamess-old/compall	2006-03-14 12:16:22.000000000 -0600
-+++ gamess/compall	2006-03-21 22:28:04.000000000 -0600
-@@ -12,8 +12,8 @@
- #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
- #  2. Choose your GAMESS directory tree.
- #
--set TARGET=ibm64
--chdir /u1/mike/gamess
-+set TARGET=linux-pc
-+#chdir /u1/mike/gamess
- #
- #  ----- and now the script begins...
- #
-diff -Naur gamess-old/ddi/compddi gamess/ddi/compddi
---- gamess-old/ddi/compddi	2006-03-14 12:05:11.000000000 -0600
-+++ gamess/ddi/compddi	2006-03-21 22:29:02.000000000 -0600
-@@ -14,7 +14,7 @@
- #      fuji-pp32,fuji-pp64,hpux32,hpux64,ibm32,ibm64,ibm64-sp,ibm-bg,
- #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
- #
--       set TARGET = ibm64
-+       set TARGET = linux-pc
- 
- #  2. Choose DDI communication layer, the only legal values are
- #                   sockets,mpi,shmem,lapi
-@@ -500,11 +500,11 @@
- #       select only one rather than two trailing underscores below.
-   if($TARGET == linux-pc) then
- 
--     set CC = 'gcc'
-+     set gentoo-CC = 'gcc'
-      set CFLAGS = "-DLINUX -O3 -m32 -fstrict-aliasing -I./include"
-      set CLIBS  = "-lpthread"
- 
--     set F77_OPTS = '-DINT_SIZE=int -D_UNDERSCORES=2'
-+     set gentoo-F77_OPTS = '-DINT_SIZE=int -D_UNDERSCORES=2'
- 
-      set AR_FLAGS     = 'cr'
-      set RANLIB_FLAGS = ' '
-diff -Naur gamess-old/lked gamess/lked
---- gamess-old/lked	2006-03-13 16:07:51.000000000 -0600
-+++ gamess/lked	2006-03-21 22:29:57.000000000 -0600
-@@ -14,8 +14,8 @@
- #       linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
- #  2. Choose your GAMESS directory tree.
- #
--set TARGET=ibm64
--chdir /u1/mike/gamess
-+set TARGET=linux-pc
-+#chdir /u1/mike/gamess
- #
- #    ---- and now the script begins...
- #
-@@ -364,8 +364,8 @@
- #  about matching the number of trailing underscores.
- #
- if ($TARGET == linux-pc) then
--   set LDR='g77'
--   set LDOPTS=' '  # add '-Wl,-M' to see load map
-+   set gentoo-LDR='g77'
-+   set gentoo-LDOPTS=' '  # add '-Wl,-M' to see load map
-    if (-e /usr/lib/libblas.a) then
-       set LIBRARIES='-lblas'
-       set BLAS=' '
diff --git a/sci-chemistry/gamess/files/ddi-use-ssh-gentoo.patch b/sci-chemistry/gamess/files/ddi-use-ssh-gentoo.patch
deleted file mode 100644
index 61c7090886a0..000000000000
--- a/sci-chemistry/gamess/files/ddi-use-ssh-gentoo.patch
+++ /dev/null
@@ -1,13 +0,0 @@
-# patch to use ssh rather than rsh for TCP/IP socket communication
-# in GAMESS' DDI_SOC interface
---- gamess/ddi/tools/ddikick/ddikick.c	2004-05-03 16:23:13.000000000 +0000
-+++ gamess-gentoo/ddi/tools/ddikick/ddikick.c	2005-09-04 15:56:50.000000000 +0000
-@@ -102,7 +102,7 @@
-           remoteshell = argv[++i];
-        } else {
-           if((remoteshell = getenv("DDI_RSH")) == NULL) {
--              remoteshell = (char *) strdup("rsh");
-+              remoteshell = (char *) strdup("ssh");
-           }
-        }
- 
diff --git a/sci-chemistry/gamess/files/digest-gamess-20070324.1 b/sci-chemistry/gamess/files/digest-gamess-20070324.1
new file mode 100644
index 000000000000..aa4b60d8f626
--- /dev/null
+++ b/sci-chemistry/gamess/files/digest-gamess-20070324.1
@@ -0,0 +1,3 @@
+MD5 5bc48c1af9213ce69f4752dbe95cb78b gamess-20070324.1.tar.gz 8095867
+RMD160 9634a996ee026197658103fd650d453d796708db gamess-20070324.1.tar.gz 8095867
+SHA256 b8e3a5d82d19a8adf1508c8fbea01a125ab4f01471f321f66b9d3c53511c9412 gamess-20070324.1.tar.gz 8095867
diff --git a/sci-chemistry/gamess/files/gamess-20060222.5.gentoo.patch b/sci-chemistry/gamess/files/gamess-20070324.1.gentoo.patch
index 0e7e75b65da6..4d552d153f7f 100644
--- a/sci-chemistry/gamess/files/gamess-20060222.5.gentoo.patch
+++ b/sci-chemistry/gamess/files/gamess-20070324.1.gentoo.patch
@@ -1,18 +1,18 @@
 diff -Naur gamess/comp gamess-new/comp
---- gamess/comp	2006-07-10 15:26:04.000000000 -0400
-+++ gamess-new/comp	2006-09-25 23:11:49.000000000 -0400
-@@ -11,8 +11,8 @@
- #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
+--- gamess/comp	2007-03-24 18:21:35.000000000 -0400
++++ gamess-new/comp	2007-04-17 15:02:02.000000000 -0400
+@@ -12,8 +12,8 @@
+ #        sgi32,sgi64,sun32,sun64
  #  2. Choose your GAMESS directory tree.
  #
 -set TARGET=ibm64
 -chdir /u1/mike/gamess
-+set TARGET=linux-pc
++set TARGET=linux32
 +#chdir /u1/mike/gamess
  #
  #    ---- and now the script begins...
  #
-@@ -1128,7 +1128,7 @@
+@@ -1112,7 +1112,7 @@
  #   The only thing you need to change is the next line.
  #   Note: you must make the analogous choice in compddi and lked, as well.
  #
@@ -21,25 +21,25 @@ diff -Naur gamess/comp gamess-new/comp
  #
      switch ($FORTRAN)
  #
-@@ -1147,7 +1147,7 @@
+@@ -1131,7 +1131,7 @@
  #   Pentium II fractionally).  None of these optimizations are used below.
  #
     case g77:
 -   set OPT = '-O2'
 +   set gentoo-OPT = '-O2'
     if ($MODULE == ormas1) set OPT='-O2 -fno-move-all-movables' # RH9, g77 3.3
-    if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling, for exam19
+    if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling
  #
-@@ -1183,7 +1183,7 @@
+@@ -1167,7 +1167,7 @@
  #      -std=legacy  suppresses warnings about use of f77 constructs.
  #
     case gfortran:
 -   set OPT='-O2'
 +   set gentoo-OPT = '-O2'
-    if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling, for exam19
+    if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling
     if (($MODULE == qeigen) || ($MODULE == int2c)) then
        mv $MODULE.f $MODULE.junk
-@@ -1221,7 +1221,7 @@
+@@ -1194,7 +1194,7 @@
  #    but that may cause certain ifort versions to fail on some files.
  #
     case ifort:
@@ -49,34 +49,43 @@ diff -Naur gamess/comp gamess-new/comp
     if ($MODULE == zheev)  set OPT='-O0'
     set echo
 diff -Naur gamess/compall gamess-new/compall
---- gamess/compall	2006-07-10 10:06:09.000000000 -0400
-+++ gamess-new/compall	2006-09-25 23:06:14.000000000 -0400
-@@ -12,8 +12,8 @@
- #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
+--- gamess/compall	2007-03-24 12:44:31.000000000 -0400
++++ gamess-new/compall	2007-04-17 15:02:09.000000000 -0400
+@@ -13,8 +13,8 @@
+ #      sgi32,sgi64,sun32,sun64
  #  2. Choose your GAMESS directory tree.
  #
 -set TARGET=ibm64
 -chdir /u1/mike/gamess
-+set TARGET=linux-pc
++set TARGET=linux32
 +#chdir /u1/mike/gamess
  #
  #  ----- and now the script begins...
  #
+@@ -412,7 +412,7 @@
+ #
+ #      optional Nuclear-Electronic Orbital method, using NEO code
+ #
+-set NEO=false
++set NEO=true
+ if ($NEO == true) then
+    ./comp neo
+    ./comp neobas
 diff -Naur gamess/ddi/compddi gamess-new/ddi/compddi
---- gamess/ddi/compddi	2006-07-10 10:06:21.000000000 -0400
-+++ gamess-new/ddi/compddi	2006-09-25 22:22:55.000000000 -0400
-@@ -14,7 +14,7 @@
- #      fuji-pp32,fuji-pp64,hpux32,hpux64,ibm32,ibm64,ibm64-sp,ibm-bg,
- #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
- #
--       set TARGET = ibm64
-+       set TARGET = linux-pc
+--- gamess/ddi/compddi	2007-03-19 13:51:55.000000000 -0400
++++ gamess-new/ddi/compddi	2007-04-17 15:02:48.000000000 -0400
+@@ -15,7 +15,7 @@
+ #      linux32,linux64,linux-ia64,mac32,macG5,necsx,
+ #      sgi32,sgi64,sun32,sun64
+ #
+-         set TARGET = ibm64
++         set TARGET = linux32
  
  #  2. Choose DDI communication layer, the only legal values are
- #                   sockets,mpi,pure-mpi,shmem,lapi
-@@ -470,9 +470,9 @@
+ #                   sockets,mixed,mpi,shmem,lapi,armci
+@@ -535,9 +535,9 @@
  #
-   if($TARGET == linux-pc) then
+   if($TARGET == linux32) then
  
 -     set FORTRAN=g77       # choose from g77, gfortran, ifort, pgf77, f2c
 +     set FORTRAN=gentoo-g77       # choose from g77, gfortran, ifort, pgf77, f2c
@@ -87,9 +96,9 @@ diff -Naur gamess/ddi/compddi gamess-new/ddi/compddi
  
       switch ($FORTRAN)
 diff -Naur gamess/ddi/tools/ddikick/ddikick.c gamess-new/ddi/tools/ddikick/ddikick.c
---- gamess/ddi/tools/ddikick/ddikick.c	2004-05-03 12:23:13.000000000 -0400
-+++ gamess-new/ddi/tools/ddikick/ddikick.c	2006-09-25 22:24:23.000000000 -0400
-@@ -102,7 +102,7 @@
+--- gamess/ddi/tools/ddikick/ddikick.c	2006-06-05 03:15:09.000000000 -0400
++++ gamess-new/ddi/tools/ddikick/ddikick.c	2007-04-17 15:03:01.000000000 -0400
+@@ -105,7 +105,7 @@
            remoteshell = argv[++i];
         } else {
            if((remoteshell = getenv("DDI_RSH")) == NULL) {
@@ -99,22 +108,22 @@ diff -Naur gamess/ddi/tools/ddikick/ddikick.c gamess-new/ddi/tools/ddikick/ddiki
         }
  
 diff -Naur gamess/lked gamess-new/lked
---- gamess/lked	2006-07-10 10:06:14.000000000 -0400
-+++ gamess-new/lked	2006-09-25 22:23:55.000000000 -0400
-@@ -14,8 +14,8 @@
- #       linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
+--- gamess/lked	2007-03-24 12:44:22.000000000 -0400
++++ gamess-new/lked	2007-04-17 15:04:16.000000000 -0400
+@@ -15,8 +15,8 @@
+ #       sgi32,sgi64,sun32,sun64
  #  2. Choose your GAMESS directory tree.
  #
 -set TARGET=ibm64
 -chdir /u1/mike/gamess
-+set TARGET=linux-pc
++set TARGET=linux32
 +#chdir /u1/mike/gamess
  #
  #    ---- and now the script begins...
  #
-@@ -329,22 +329,22 @@
+@@ -285,22 +285,22 @@
  #
- if ($TARGET == linux-pc) then
+ if ($TARGET == linux32) then
  #
 -   set FORTRAN=g77       # choose from g77, gfortran, ifort, pgf77, f2c
 +   set FORTRAN=gentoo-g77       # choose from g77, gfortran, ifort, pgf77, f2c
@@ -140,8 +149,8 @@ diff -Naur gamess/lked gamess-new/lked
          breaksw
       case pgf77:
 diff -Naur gamess/runall gamess-new/runall
---- gamess/runall	2006-03-09 17:36:21.000000000 -0500
-+++ gamess-new/runall	2006-09-25 22:25:11.000000000 -0400
+--- gamess/runall	2007-03-05 16:59:51.000000000 -0500
++++ gamess-new/runall	2007-04-17 15:04:31.000000000 -0400
 @@ -10,7 +10,7 @@
  #  Edit this file to set the base path to GAMESS, and execute it to be
  #  sure all the jobs TERMINATED NORMALLY, and got correct numbers too.
@@ -152,8 +161,8 @@ diff -Naur gamess/runall gamess-new/runall
  #
  foreach NUM ( 01 02 03 04 05 06 07 08 09 10 11 12 13 14 15 \
 diff -Naur gamess/rungms gamess-new/rungms
---- gamess/rungms	2006-07-10 15:20:56.000000000 -0400
-+++ gamess-new/rungms	2006-09-25 22:27:00.000000000 -0400
+--- gamess/rungms	2007-03-14 18:23:34.000000000 -0400
++++ gamess-new/rungms	2007-04-17 15:06:23.000000000 -0400
 @@ -54,7 +54,7 @@
  #       of using LoadLeveler via a "llgms" front end in ~/gamess/misc.
  #
@@ -163,7 +172,7 @@ diff -Naur gamess/rungms gamess-new/rungms
  #
  set JOB=$1      # name of the input file xxx.inp, give only the xxx part
  set VERNO=$2    # revision number of the executable created by 'lked' step
-@@ -114,14 +114,14 @@
+@@ -119,14 +119,14 @@
  #
  set echo
  #                        ASCII input files (see explanation above)
@@ -182,7 +191,7 @@ diff -Naur gamess/rungms gamess-new/rungms
  setenv  AOINTS $SCR/$JOB.F08
  setenv  MOINTS $SCR/$JOB.F09
  setenv DICTNRY $SCR/$JOB.F10
-@@ -151,8 +151,8 @@
+@@ -156,8 +156,8 @@
  setenv  SOINTY $SCR/$JOB.F32
  setenv  SOINTZ $SCR/$JOB.F33
  setenv  SORESC $SCR/$JOB.F34
@@ -193,12 +202,21 @@ diff -Naur gamess/rungms gamess-new/rungms
  setenv GCILIST $SCR/$JOB.F37
  setenv HESSIAN $SCR/$JOB.F38
  setenv SOCCDAT $SCR/$JOB.F40
-@@ -326,7 +326,7 @@
+@@ -242,7 +242,7 @@
+     if (null$4 == null) set ELGNAME=ELGFILE
+     set echo
+     setenv AOINTS   $SCR/$ELGNAME.F08
+-    setenv ELGDOS   ~$USER/scr/$JOB.ldos
++    setenv ELGDOS   $SCR/$JOB.ldos
+     setenv ELGDAT   $SCR/$ELGNAME.F71
+     setenv ELGPAR   $SCR/$ELGNAME.F72
+     setenv ELGCUT   $SCR/$ELGNAME.F74
+@@ -343,7 +343,7 @@
+    if ($os == AIX)     set GMSPATH=/u1/mike/gamess
+    if ($os == Darwin)  set GMSPATH=/Users/mike/desktop/gamess
     if ($os == HP-UX)   set GMSPATH=/zr/mike/gamess
-    if ($os == IRIX)    set GMSPATH=/home/hbar4/people/schmidt/gamess
-    if ($os == IRIX64)  set GMSPATH=/home/hbar4/people/schmidt/gamess
 -   if ($os == Linux)   set GMSPATH=/cu/mike/gamess
 +   if ($os == Linux)   set GMSPATH=/usr/bin
-    if ($os == OSF1)    set GMSPATH=/au/mike/gamess
+    if ($os == OSF1)    set GMSPATH=/in/mike/gamess
     if ($os == SunOS)   set GMSPATH=/hf/mike/gamess
- #       special compilation for my old Sun (uname also replies SunOS)
+ #       special compilation for Sun E450 uSPARC       (uname also= SunOS)
diff --git a/sci-chemistry/gamess/files/gamess-glibc-2.4-gentoo.patch b/sci-chemistry/gamess/files/gamess-glibc-2.4-gentoo.patch
deleted file mode 100644
index 5673eeaae729..000000000000
--- a/sci-chemistry/gamess/files/gamess-glibc-2.4-gentoo.patch
+++ /dev/null
@@ -1,42 +0,0 @@
-diff -Naur gamess/source/zunix.c gamess-new/source/zunix.c
---- gamess/source/zunix.c	2005-12-20 22:35:35.000000000 -0600
-+++ gamess-new/source/zunix.c	2006-03-27 15:55:13.000000000 -0600
-@@ -244,9 +244,9 @@
- double etime(float *a)
-    { double        elapsed;
-      struct tms    buf;
--     elapsed= (float) times(&buf)/ (float) CLK_TCK;
--     a[0]=(float)(buf.tms_utime + buf.tms_cutime)/CLK_TCK;
--     a[1]=(float)(buf.tms_stime + buf.tms_cstime)/CLK_TCK;
-+     elapsed= (float) times(&buf)/ (float) CLOCKS_PER_SEC;
-+     a[0]=(float)(buf.tms_utime + buf.tms_cutime)/CLOCKS_PER_SEC;
-+     a[1]=(float)(buf.tms_stime + buf.tms_cstime)/CLOCKS_PER_SEC;
-      return(elapsed); }
- 
- /*
-@@ -301,9 +301,9 @@
- double etime(float *a)
-    { double        elapsed;
-      struct tms    buf;
--     elapsed= (float) times(&buf)/ (float) CLK_TCK;
--     a[0]=(float)(buf.tms_utime + buf.tms_cutime)/CLK_TCK;
--     a[1]=(float)(buf.tms_stime + buf.tms_cstime)/CLK_TCK;
-+     elapsed= (float) times(&buf)/ (float) CLOCKS_PER_SEC;
-+     a[0]=(float)(buf.tms_utime + buf.tms_cutime)/CLOCKS_PER_SEC;
-+     a[1]=(float)(buf.tms_stime + buf.tms_cstime)/CLOCKS_PER_SEC;
-      return(elapsed); }
- 
- #endif
-@@ -343,9 +343,9 @@
- double etime_(float *a)
-    { double        elapsed;
-      struct tms    buf;
--     elapsed= (float) times(&buf)/CLK_TCK;
--     a[0]= (float) (buf.tms_utime + buf.tms_cutime)/CLK_TCK;
--     a[1]= (float) (buf.tms_stime + buf.tms_cstime)/CLK_TCK;
-+     elapsed= (float) times(&buf)/CLOCKS_PER_SEC;
-+     a[0]= (float) (buf.tms_utime + buf.tms_cutime)/CLOCKS_PER_SEC;
-+     a[1]= (float) (buf.tms_stime + buf.tms_cstime)/CLOCKS_PER_SEC;
-      return(elapsed); }
- 
- /*
diff --git a/sci-chemistry/gamess/files/rungms-runall-20060222.2.patch b/sci-chemistry/gamess/files/rungms-runall-20060222.2.patch
deleted file mode 100644
index 29b0739c7b1d..000000000000
--- a/sci-chemistry/gamess/files/rungms-runall-20060222.2.patch
+++ /dev/null
@@ -1,62 +0,0 @@
-diff -Naur gamess-old/runall gamess/runall
---- gamess-old/runall	2006-03-09 16:36:21.000000000 -0600
-+++ gamess/runall	2006-03-21 22:32:27.000000000 -0600
-@@ -10,7 +10,7 @@
- #  Edit this file to set the base path to GAMESS, and execute it to be
- #  sure all the jobs TERMINATED NORMALLY, and got correct numbers too.
- #
--chdir /u1/mike/gamess
-+#chdir /u1/mike/gamess/
- set VERNO=00
- #
- foreach NUM ( 01 02 03 04 05 06 07 08 09 10 11 12 13 14 15 \
-diff -Naur gamess-old/rungms gamess/rungms
---- gamess-old/rungms	2005-12-28 15:31:05.000000000 -0600
-+++ gamess/rungms	2006-03-21 22:33:07.000000000 -0600
-@@ -54,7 +54,7 @@
- #       of using LoadLeveler via a "llgms" front end in ~/gamess/misc.
- #
- set TARGET=sockets
--set SCR=/scr/$USER
-+set SCR=`pwd`
- #
- set JOB=$1      # name of the input file xxx.inp, give only the xxx part
- set VERNO=$2    # revision number of the executable created by 'lked' step
-@@ -113,13 +113,13 @@
- #
- set echo
- #                        three ASCII input files (see explanation above)
--setenv ERICFMT ~mike/gamess/ericfmt.dat
--setenv MCPPATH ~mike/gamess/mcpdata
-+setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat
-+setenv MCPPATH /usr/share/gamess/mcpdata
- setenv  EXTBAS /dev/null
- #
--setenv IRCDATA ~$USER/scr/$JOB.irc
-+setenv IRCDATA $SCR/$JOB.irc
- setenv   INPUT $SCR/$JOB.F05
--setenv   PUNCH ~$USER/scr/$JOB.dat
-+setenv   PUNCH $SCR/$JOB.dat
- setenv  AOINTS $SCR/$JOB.F08
- setenv  MOINTS $SCR/$JOB.F09
- setenv DICTNRY $SCR/$JOB.F10
-@@ -149,8 +149,8 @@
- setenv  SOINTY $SCR/$JOB.F32
- setenv  SOINTZ $SCR/$JOB.F33
- setenv  SORESC $SCR/$JOB.F34
--setenv   SIMEN ~$USER/scr/$JOB.simen
--setenv  SIMCOR ~$USER/scr/$JOB.simcor
-+setenv   SIMEN $SCR/$JOB.simen
-+setenv  SIMCOR $SCR/$JOB.simcor
- setenv GCILIST $SCR/$JOB.F37
- setenv HESSIAN $SCR/$JOB.F38
- setenv SOCCDAT $SCR/$JOB.F40
-@@ -291,7 +291,7 @@
-    if ($os == HP-UX)   set GMSPATH=/zr/mike/gamess
-    if ($os == IRIX)    set GMSPATH=/home/hbar4/people/schmidt/gamess
-    if ($os == IRIX64)  set GMSPATH=/home/hbar4/people/schmidt/gamess
--   if ($os == Linux)   set GMSPATH=/cu/mike/gamess
-+   if ($os == Linux)   set GMSPATH=/usr/bin
-    if ($os == OSF1)    set GMSPATH=/au/mike/gamess
-    if ($os == SunOS)   set GMSPATH=/hf/mike/gamess
- #       special compilation for my old Sun (uname also replies SunOS)