This new revision installs the rungms wrapper into /usr/bin to avoid that users have to copy it manually and to play well with WebMO.

(Portage version: 2.0.51.22-r3)

3 files changed, 64 insertions, 0 deletions

diff --git a/sci-chemistry/gamess/files/digest-gamess-05272005.3-r1 b/sci-chemistry/gamess/files/digest-gamess-05272005.3-r1
new file mode 100644
index 000000000000..fe86e56c2ef2
--- /dev/null
+++ b/sci-chemistry/gamess/files/digest-gamess-05272005.3-r1
@@ -0,0 +1 @@
+MD5 1478f6223f5096d00552806f2a98fd9e gamess-05272005.3.tar.gz 6339705
diff --git a/sci-chemistry/gamess/files/runall-gentoo.1.patch b/sci-chemistry/gamess/files/runall-gentoo.1.patch
new file mode 100644
index 000000000000..7bb6497274df
--- /dev/null
+++ b/sci-chemistry/gamess/files/runall-gentoo.1.patch
@@ -0,0 +1,14 @@
+# 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 \
diff --git a/sci-chemistry/gamess/files/rungms-gentoo.1.patch b/sci-chemistry/gamess/files/rungms-gentoo.1.patch
new file mode 100644
index 000000000000..f6e84a0d81c8
--- /dev/null
+++ b/sci-chemistry/gamess/files/rungms-gentoo.1.patch
@@ -0,0 +1,49 @@
+--- gamess/rungms	2005-11-10 22:03:42.000000000 +0000
++++ gamess-new//rungms	2005-12-02 18:47:25.000000000 +0000
+@@ -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)