Initial import (fixes bug #105901).

Package-Manager: portage-2.0.51.22-r2

8 files changed, 194 insertions, 0 deletions

diff --git a/sci-chemistry/gamess/files/comp-gentoo.patch b/sci-chemistry/gamess/files/comp-gentoo.patch
new file mode 100644
index 000000000000..5329bc3566e7
--- /dev/null
+++ b/sci-chemistry/gamess/files/comp-gentoo.patch
@@ -0,0 +1,40 @@
+# patch to enable linux-x86 arch in GAMESS comp script
+# includes a small fix that compiles module zheev using -O1
+# since anything more agressive might break things
+
+--- gamess-orig/comp	2005-07-23 20:30:18.000000000 +0000
++++ gamess/comp	2005-09-06 16:27:07.000000000 +0000
+@@ -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...
+ #
+@@ -992,11 +992,12 @@
+ #   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
+ #
+ #   g77 does not support FORTRAN logical units above 99, or 128 bit math.
+ #
++   if ($MODULE == zheev) set OPT='-O1' 
+    if (($MODULE == qeigen) || ($MODULE == int2c)) then
+       mv $MODULE.f $MODULE.junk
+       sed -e "s/Q-/D-/g" \
+@@ -1010,7 +1011,7 @@
+       rm -f $MODULE.junk
+    endif
+    set echo
+-   g77 -c $OPT -malign-double -fautomatic \
++   gentoo-g77 -c $OPT -malign-double -fautomatic \
+            -Wno-globals -fno-globals $MODULE.f
+    unset echo
+ endif
diff --git a/sci-chemistry/gamess/files/compall-gentoo.patch b/sci-chemistry/gamess/files/compall-gentoo.patch
new file mode 100644
index 000000000000..6ea5f77b7139
--- /dev/null
+++ b/sci-chemistry/gamess/files/compall-gentoo.patch
@@ -0,0 +1,15 @@
+# patch to enable linux-x86 arch in main GAMESS compile driver
+
+--- gamess/compall	2005-07-18 22:37:23.000000000 +0000
++++ gamess-gentoo/compall	2005-09-04 15:00:18.000000000 +0000
+@@ -12,8 +12,8 @@
+ #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
+ #  2. Choose your GAMESS directory tree.
+ #
+-set TARGET=ibm64
+-chdir /u1/mike/gamess
++set TARGET=linux-pc
++#chdir /u1/mike/gamess
+ #
+ #  ----- and now the script begins...
+ #
diff --git a/sci-chemistry/gamess/files/compddi-gentoo.patch b/sci-chemistry/gamess/files/compddi-gentoo.patch
new file mode 100644
index 000000000000..dcfd5d71a953
--- /dev/null
+++ b/sci-chemistry/gamess/files/compddi-gentoo.patch
@@ -0,0 +1,28 @@
+# patch to enable linux-x86 arch in GAMESS DDI socket compile
+# script
+
+--- gamess/ddi/compddi	2005-07-23 20:32:02.000000000 +0000
++++ gamess-gentoo/ddi/compddi	2005-09-05 12:20:02.000000000 +0000
+@@ -14,7 +14,7 @@
+ #      fuji-pp32,fuji-pp64,hpux32,hpux64,ibm32,ibm64,ibm64-sp,ibm-bg,
+ #      linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64
+ #
+-       set TARGET = ibm64
++       set TARGET = linux-pc
+ 
+ #  2. Choose DDI communication layer, the only legal values are
+ #                   sockets,mpi,shmem,lapi
+@@ -470,11 +470,11 @@
+ #       select only one rather than two trailing underscores below.
+   if($TARGET == linux-pc) then
+ 
+-     set CC = 'gcc'
++     set gentoo-CC = 'gcc'
+      set CFLAGS = "-DLINUX -O3 -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 --git a/sci-chemistry/gamess/files/ddi-use-ssh-gentoo.patch b/sci-chemistry/gamess/files/ddi-use-ssh-gentoo.patch
new file mode 100644
index 000000000000..61c7090886a0
--- /dev/null
+++ b/sci-chemistry/gamess/files/ddi-use-ssh-gentoo.patch
@@ -0,0 +1,13 @@
+# 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-05272005 b/sci-chemistry/gamess/files/digest-gamess-05272005
new file mode 100644
index 000000000000..505c63894ac0
--- /dev/null
+++ b/sci-chemistry/gamess/files/digest-gamess-05272005
@@ -0,0 +1 @@
+MD5 3aa67e3db20051d372f6fc79c47c3abe gamess-current.tar.gz 5761028
diff --git a/sci-chemistry/gamess/files/lked-gentoo.patch b/sci-chemistry/gamess/files/lked-gentoo.patch
new file mode 100644
index 000000000000..defdcbfd4cf8
--- /dev/null
+++ b/sci-chemistry/gamess/files/lked-gentoo.patch
@@ -0,0 +1,26 @@
+# patch to enable linux-x86 arch in GAMESS linking script
+
+--- gamess/lked	2005-06-30 20:47:59.000000000 +0000
++++ gamess-gentoo/lked	2005-09-04 15:01:54.000000000 +0000
+@@ -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...
+ #
+@@ -321,8 +321,8 @@
+ #  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/runall-gentoo.patch b/sci-chemistry/gamess/files/runall-gentoo.patch
new file mode 100644
index 000000000000..8ad9535cd4bb
--- /dev/null
+++ b/sci-chemistry/gamess/files/runall-gentoo.patch
@@ -0,0 +1,22 @@
+# patch to adjust paths in runall script according to our GENTOO
+# install
+
+--- gamess/runall	2005-07-05 14:08:04.000000000 +0000
++++ gamess-gentoo/runall	2005-09-05 11:05:31.000000000 +0000
+@@ -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 \
+@@ -20,6 +20,6 @@
+      gms -v $VERNO -q ti -l exam$NUM.log exam$NUM
+      sleep 5
+   else
+-     rungms exam$NUM $VERNO 1  >&  exam$NUM.log
++     ./rungms exam$NUM $VERNO 1  >&  exam$NUM.log
+   endif
+ end
diff --git a/sci-chemistry/gamess/files/rungms-gentoo.patch b/sci-chemistry/gamess/files/rungms-gentoo.patch
new file mode 100644
index 000000000000..8e6e9641145c
--- /dev/null
+++ b/sci-chemistry/gamess/files/rungms-gentoo.patch
@@ -0,0 +1,49 @@
+# patch to make rungms wrapper script for GAMESS work on our
+# gentoo install
+
+--- gamess/rungms	2005-07-23 20:33:54.000000000 +0000
++++ gamess-gentoo/rungms	2005-09-04 17:01:19.000000000 +0000
+@@ -39,7 +39,7 @@
+ #       its own list of further requirements.
+ #
+ set TARGET=sockets
+-set SCR=/scr/$USER
++set SCR=./
+ #
+ set JOB=$1      # name of the input file xxx.inp, give only the xxx part
+ set VERNO=$2    # revision number of the executable created by 'lked' step
+@@ -90,11 +90,11 @@
+ #  is therefore most suitable to be stored only once, on the file server.
+ #
+ set echo
+-setenv ERICFMT ~mike/gamess/ericfmt.dat
++setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat
+ setenv  EXTBAS /dev/null
+-setenv IRCDATA ~/scr/$JOB.irc
++setenv IRCDATA $SCR/$JOB.irc
+ setenv   INPUT $SCR/$JOB.F05
+-setenv   PUNCH ~/scr/$JOB.dat
++setenv   PUNCH $SCR/$JOB.dat
+ setenv  AOINTS $SCR/$JOB.F08
+ setenv  MOINTS $SCR/$JOB.F09
+ setenv DICTNRY $SCR/$JOB.F10
+@@ -124,8 +124,8 @@
+ setenv  SOINTY $SCR/$JOB.F32
+ setenv  SOINTZ $SCR/$JOB.F33
+ setenv  SORESC $SCR/$JOB.F34
+-setenv   SIMEN ~/scr/$JOB.simen
+-setenv  SIMCOR ~/scr/$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
+@@ -266,7 +266,7 @@
+    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)