Made slight change to rungms script to allow parallel runs via environmental variables (see bug #241394).

Package-Manager: portage-2.2_rc11/cvs/Linux 2.6.26-SENTINEL-2 i686

3 files changed, 51 insertions, 27 deletions

diff --git a/sci-chemistry/gamess/ChangeLog b/sci-chemistry/gamess/ChangeLog
index b903f25b651b..3880b9647206 100644
--- a/sci-chemistry/gamess/ChangeLog
+++ b/sci-chemistry/gamess/ChangeLog
@@ -1,6 +1,12 @@
 # ChangeLog for sci-chemistry/gamess
 # Copyright 1999-2008 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.28 2008/06/29 08:21:03 tove Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.29 2008/10/12 14:50:30 markusle Exp $
+
+  12 Oct 2008; Markus Dittrich <markusle@gentoo.org>
+  files/gamess-20080411.1.gentoo.patch:
+  Made slight change to rungms script to allow parallel runs via
+  environmental variables (see bug #241394). Thanks much to Alexey 
+  Shvetsov <alexxyum@gmail.com> for the suggestion.
 
   29 Jun 2008; Torsten Veller <tove@gentoo.org> gamess-20070324.1.ebuild,
   gamess-20070324.3.ebuild, gamess-20070324.6.ebuild,
diff --git a/sci-chemistry/gamess/Manifest b/sci-chemistry/gamess/Manifest
index de059ea25b56..72f25b34df2f 100644
--- a/sci-chemistry/gamess/Manifest
+++ b/sci-chemistry/gamess/Manifest
@@ -1,9 +1,6 @@
------BEGIN PGP SIGNED MESSAGE-----
-Hash: SHA1
-
 AUX gamess-20070324.1.gentoo.patch 7282 RMD160 943f3e0999c871445cc8715c6a729cecd0104e71 SHA1 81457f6633d8c39ad5b59c3d53f1597a3b9b5125 SHA256 e031d391017b9cb85f82ea156da678c403f176fdae9370b82d505f4b981c3b43
 AUX gamess-20070324.3.gentoo.patch 11196 RMD160 37700e020500f9295aaf6223ae412eb33c0eb2f7 SHA1 4d2c37790d6fa0bd06097f6be2b6efeb005903bc SHA256 42b27d2a9f94c902421d2ac11f87484898f1f3f1c6e31fcbce19bc3978138144
-AUX gamess-20080411.1.gentoo.patch 23835 RMD160 bb13fff2af162548c25981baf082b68e758c7adc SHA1 1f38da29a9362024290654b744e34150ccf55ba5 SHA256 c0f79780945425d6efa5aaab9259cf86cd3adcd2afd3d8aac50a746dcef44554
+AUX gamess-20080411.1.gentoo.patch 12549 RMD160 531faefa0d45a8d249c089aec8138783406563e5 SHA1 c8a93487889528d74384096562398f5096a76f5c SHA256 7df4e4c70da0a9029043c86a4607bbc58f35cf4e34994df393e02dcd3ac7f2b5
 DIST gamess-20070324.1.tar.gz 8095867 RMD160 9634a996ee026197658103fd650d453d796708db SHA1 7a6fc6ced7565337a1b77189df7446d1c84b61dd SHA256 b8e3a5d82d19a8adf1508c8fbea01a125ab4f01471f321f66b9d3c53511c9412
 DIST gamess-20070324.3.tar.gz 8219816 RMD160 e9a3ad26a520072322006d7f429ad5172a6248cb SHA1 ab4590fd73e93b06fa122768721650789e50533d SHA256 c9650cca2c2f7b5973636d4d49f907fc5f975f430b0f78dd7d2ee2d83109900d
 DIST gamess-20070324.6.tar.gz 8452642 RMD160 b7f850db6d816f9011b646b31bc1c4a8b07983bc SHA1 19ea60d555ea10687e8fc43f9734b3fef5d646e3 SHA256 3c47012c17c544f6c6fe35526232e3d2b4aa61a4c22b7a944fcb72cad3295ae5
@@ -12,12 +9,5 @@ EBUILD gamess-20070324.1.ebuild 6360 RMD160 5e6cb711089868a160b7e0e7befd392a334a
 EBUILD gamess-20070324.3.ebuild 6449 RMD160 00fd64e09e495bcbcc01f5d73218b36ce504b07f SHA1 0ebd365b38d28cd5a7fd83574d6547c1a695dec2 SHA256 2e81527989a11bacf6f72a14cfb7a00bd2cced0a745d8a4253eb6c1a1f1d8c21
 EBUILD gamess-20070324.6.ebuild 6461 RMD160 6f8c07650f96b231a33135f4f17a63b92729028d SHA1 54f2472dbe2a24ecb8f841b9e5a4b65df4c4e1a4 SHA256 09535141a5d14a388775db0da3187f0d9beeb244dda6918b3877cad27c98654f
 EBUILD gamess-20080411.1.ebuild 6449 RMD160 f4ce142a0e539f7d9d6c6b53cb6365b146184296 SHA1 66ed15b13ace9f16e7a1c4898a6177e929938f7f SHA256 851552f6fc1e7f85d1590850c5718c18e7f2748cd0b0361b0a665be746c30d08
-MISC ChangeLog 6712 RMD160 140ad9f965e07c9ccdfe9a5221cebce0a516b053 SHA1 e9560c77dcfd91c3e19bf7f09a6344b5f2f4aa84 SHA256 b976df6043974141954ecf1f8af596c7f05f316e44ba3c2a4fa7f5d35984fd19
+MISC ChangeLog 6995 RMD160 284516e4896eee0ea7919d757590d707375f600b SHA1 223bdacb77e3921a10f47a8c13a652e99def22df SHA256 84a02917af6198493203ca8b654d1dcf3837b930f7b9903950a6aba64ba5bbde
 MISC metadata.xml 264 RMD160 f2d7d7c401f209aec88c85770c5d1fc73ee66c89 SHA1 90b72142265c0cf5b2e2c37f6d14209fc12de279 SHA256 a6dba0fee2e8489ae831c04e7240ee646ac65c2333485a3ae46da9ed000c4d9f
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-iEYEARECAAYFAkhnRfcACgkQV3J2n04EauzhPwCg0akLjEh77NxbdgkYATaXcRgb
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diff --git a/sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch b/sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch
index 38f2fe553f74..38f4b61cb0c1 100644
--- a/sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch
+++ b/sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch
@@ -1,6 +1,6 @@
 diff -Naur gamess/comp gamess.new/comp
 --- gamess/comp	2008-03-19 19:56:14.000000000 -0400
-+++ gamess.new/comp	2008-05-08 09:12:01.000000000 -0400
++++ gamess.new/comp	2008-10-12 07:39:04.000000000 -0400
 @@ -12,8 +12,8 @@
  #        sgi32,sgi64,sun32,sun64
  #  2. Choose your GAMESS directory tree.
@@ -76,7 +76,7 @@ diff -Naur gamess/comp gamess.new/comp
           mv $MODULE.f $MODULE.junk
 diff -Naur gamess/compall gamess.new/compall
 --- gamess/compall	2008-04-11 14:47:57.000000000 -0400
-+++ gamess.new/compall	2008-05-08 09:12:01.000000000 -0400
++++ gamess.new/compall	2008-10-12 07:39:04.000000000 -0400
 @@ -13,8 +13,8 @@
  #      sgi32,sgi64,sun32,sun64
  #  2. Choose your GAMESS directory tree.
@@ -110,7 +110,7 @@ diff -Naur gamess/compall gamess.new/compall
     ./comp neobas
 diff -Naur gamess/ddi/compddi gamess.new/ddi/compddi
 --- gamess/ddi/compddi	2008-03-05 09:21:30.000000000 -0500
-+++ gamess.new/ddi/compddi	2008-05-08 09:12:01.000000000 -0400
++++ gamess.new/ddi/compddi	2008-10-12 07:39:04.000000000 -0400
 @@ -15,7 +15,7 @@
  #      linux32,linux64,linux-ia64,mac32,mac64,macG5,necsx,
  #      sgi32,sgi64,sun32,sun64
@@ -149,7 +149,7 @@ diff -Naur gamess/ddi/compddi gamess.new/ddi/compddi
          set CFLAGS = "-DLINUX -m64 -O3 -fstrict-aliasing -I./include"
 diff -Naur gamess/ddi/tools/ddikick/ddikick.c gamess.new/ddi/tools/ddikick/ddikick.c
 --- gamess/ddi/tools/ddikick/ddikick.c	2006-06-05 03:15:09.000000000 -0400
-+++ gamess.new/ddi/tools/ddikick/ddikick.c	2008-05-08 09:12:01.000000000 -0400
++++ gamess.new/ddi/tools/ddikick/ddikick.c	2008-10-12 07:39:04.000000000 -0400
 @@ -105,7 +105,7 @@
            remoteshell = argv[++i];
         } else {
@@ -161,7 +161,7 @@ diff -Naur gamess/ddi/tools/ddikick/ddikick.c gamess.new/ddi/tools/ddikick/ddiki
  
 diff -Naur gamess/lked gamess.new/lked
 --- gamess/lked	2008-04-11 14:47:43.000000000 -0400
-+++ gamess.new/lked	2008-05-08 09:12:01.000000000 -0400
++++ gamess.new/lked	2008-10-12 07:39:04.000000000 -0400
 @@ -15,8 +15,8 @@
  #       sgi32,sgi64,sun32,sun64
  #  2. Choose your GAMESS directory tree.
@@ -240,7 +240,7 @@ diff -Naur gamess/lked gamess.new/lked
        echo " "
 diff -Naur gamess/runall gamess.new/runall
 --- gamess/runall	2008-03-18 16:18:58.000000000 -0400
-+++ gamess.new/runall	2008-05-08 09:12:01.000000000 -0400
++++ gamess.new/runall	2008-10-12 07:39:04.000000000 -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.
@@ -252,7 +252,7 @@ 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	2008-03-13 19:56:18.000000000 -0400
-+++ gamess.new/rungms	2008-05-08 09:14:03.000000000 -0400
++++ gamess.new/rungms	2008-10-12 07:39:23.000000000 -0400
 @@ -54,7 +54,7 @@
  #       of using LoadLeveler via a "llgms" front end in ~/gamess/misc.
  #
@@ -312,15 +312,43 @@ diff -Naur gamess/rungms gamess.new/rungms
     if ($os == OSF1)    set GMSPATH=/in/mike/gamess
     if ($os == SunOS)   set GMSPATH=/hf/mike/gamess
  #       special compilation for Sun E450 uSPARC       (uname also= SunOS)
-diff -Naur gamess/.rungms.rej.swo gamess.new/.rungms.rej.swo
---- gamess/.rungms.rej.swo	1969-12-31 19:00:00.000000000 -0500
-+++ gamess.new/.rungms.rej.swo	2008-05-08 09:13:01.000000000 -0400
-@@ -0,0 +1 @@
-+b0VIM 7.1
-\ No newline at end of file
+@@ -452,33 +452,6 @@
+       set HOSTLIST=(`hostname`)
+    endif
+ #
+-#       2. This is an example of how to run on a 4-way SMP enclosure,
+-#          where all CPUs (aka COREs) are inside a -single- NODE.
+-#          The example is repeated for some nodes we use as 2-way's.
+-   if ($NCPUS > 1) then
+-      switch (`hostname`)
+-         case ti.msg.chem.iastate.edu:
+-         case cd.msg.chem.iastate.edu:
+-         case zn.msg.chem.iastate.edu:
+-         case ni.msg.chem.iastate.edu:
+-         case co.msg.chem.iastate.edu:
+-         case sc.msg.chem.iastate.edu:
+-            if ($NCPUS > 4) set NCPUS=4
+-            set NNODES=1
+-            set HOSTLIST=(`hostname`:cpus=$NCPUS)
+-            breaksw
+-         case se.msg.chem.iastate.edu:
+-         case sb.msg.chem.iastate.edu:
+-         case br.msg.chem.iastate.edu:
+-            if ($NCPUS > 2) set NCPUS=2
+-            set NNODES=1
+-            set HOSTLIST=(`hostname`:cpus=$NCPUS)
+-            breaksw
+-         default:
+-            echo I do not know how to run this node in parallel.
+-            exit 20
+-      endsw
+-   endif
+ #
+ #       3. A phony example, of six uniprocessors (arbitrary names)
+ #          Because they are uniprocessors, we just set NNODES = NCPUS.
 diff -Naur gamess/source/zunix.c gamess.new/source/zunix.c
 --- gamess/source/zunix.c	2007-05-07 10:44:22.000000000 -0400
-+++ gamess.new/source/zunix.c	2008-05-08 09:12:01.000000000 -0400
++++ gamess.new/source/zunix.c	2008-10-12 07:39:04.000000000 -0400
 @@ -331,6 +331,7 @@
  #ifdef LINUX32