[sci-chemistry/gamess] Fix gamess build. Aslo remove old versions since upstream provides only latest tarball

Package-Manager: portage-2.2.0_alpha10_p9/cvs/Linux x86_64

5 files changed, 25 insertions, 633 deletions

diff --git a/sci-chemistry/gamess/ChangeLog b/sci-chemistry/gamess/ChangeLog
index 16488092f4f8..0b91c031472b 100644
--- a/sci-chemistry/gamess/ChangeLog
+++ b/sci-chemistry/gamess/ChangeLog
@@ -1,6 +1,12 @@
 # ChangeLog for sci-chemistry/gamess
 # Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.47 2010/12/20 19:37:00 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.48 2010/12/29 18:31:56 alexxy Exp $
+
+  29 Dec 2010; Alexey Shvetsov <alexxy@gentoo.org>
+  -gamess-20090112.1-r1.ebuild, -files/gamess-20090112.1.gentoo.patch,
+  gamess-20101001.1.ebuild:
+  Fix gamess build. Aslo remove old versions since upstream provides only
+  latest tarball
 
   20 Dec 2010; Justin Lecher <jlec@gentoo.org> gamess-20090112.1-r1.ebuild,
   gamess-20101001.1.ebuild:
diff --git a/sci-chemistry/gamess/Manifest b/sci-chemistry/gamess/Manifest
index 2d97cbfa3661..d53e59a47989 100644
--- a/sci-chemistry/gamess/Manifest
+++ b/sci-chemistry/gamess/Manifest
@@ -1,20 +1,27 @@
 -----BEGIN PGP SIGNED MESSAGE-----
-Hash: SHA1
+Hash: SHA256
 
-AUX gamess-20090112.1.gentoo.patch 12259 RMD160 08dea4576f98233af6b36d73fccbe52b8eec4961 SHA1 f24da2cdf997b2d58a7f991111e0555407ce1f3b SHA256 fcaa3aafda7f95b45bbc45d98cb3875048e6b2b3c06730c97492f7b77d120255
 AUX gamess-20101001.1.gentoo.patch 59033 RMD160 d280d5d9c874f0b8226f6cc9bfa554922cb763aa SHA1 76ae8acfd0b61d9138ac4e57b21ffd7d9fa68099 SHA256 787f3b4ebc8c467b991d69a1da600febe8c33acd41f65f1eb8e9dca244a3bcac
 AUX gamess-qmmm-tinker-fix-idate.patch 611 RMD160 cdcf164d80f36db3a631659d85b7e099118c971d SHA1 3e29aed5b0933ebe598f8d2c9d7315c4f48da0be SHA256 db62d639b96f64493754baa5565322ff21b295e8abee40fca270d9c95dfaa435
-DIST gamess-20090112.1.tar.gz 10823509 RMD160 409aafba9136a441c1524fe30eb1fccdff1f9883 SHA1 4af8dd470700649d32317d8ab57814b010a4403d SHA256 9f7763933479ba8aa730c392af25b8a271152115a0392707786b45871b52f6e0
 DIST gamess-20101001.1.tar.gz 16029694 RMD160 8730ac02b1e9f6a9e6c90caf507fc8b65a7bc79f SHA1 3a38b8d96db4195755ad3aabc12d018288a37ce4 SHA256 346ce85cb9580fce770c28a2ba15c43a7258f4af4fbeda1e5ce5330e459e49f1
 DIST tinker.tar.Z 1902051 RMD160 b467fe3231d469309c1d48d29ee15975a3f305c0 SHA1 e1e9fde440de1854a8b49b6ae2259df27e871651 SHA256 7c52454ade7dd81d1b70a7e7722eda3672c644a3ba67ab444824a0212b4a7a8c
-EBUILD gamess-20090112.1-r1.ebuild 7767 RMD160 4c5864e2140f51e58a048616baf872a43d4dd033 SHA1 f8b5f645e79339f3c159e93899ebad60031c4d18 SHA256 36d8d88cb1f99d0a0dbba357c94d7424004210eae2c7fbb4a73f3bd308c79fe2
-EBUILD gamess-20101001.1.ebuild 10002 RMD160 00f8d71f867c3cf454cda93fc26ea760e3b1c363 SHA1 64c0bd091eae34901f7ec7747306b039c029e27b SHA256 feb30d3bb323926bd2dee980349693b83c7b40128ccb74c12913800ab210d14c
-MISC ChangeLog 10093 RMD160 b84929af5fdc40f6021604bd57ca481888863b00 SHA1 10cf8f68ad22859d5b61d3c72cca2b91c4adb8bd SHA256 162c79ab0937d041a04bf8d0e92667ebda4fe9bd927263ef428c87d4cd34c8b9
+EBUILD gamess-20101001.1.ebuild 10001 RMD160 77eed9f8d5a610f70ac560bde8b669adeabd8d01 SHA1 6b2de2218dc43dc5ee191830dcf33fac625cf859 SHA256 fcec57ac5d6141ce454a4173e723a885bc4ba55086f4142da3075f6a83ed07c0
+MISC ChangeLog 10337 RMD160 09e15e5360e7cb2c1d2fc3bbdfe683b398e2555e SHA1 b4116aa7fc54b32e22e3872b27e70bd2556bccef SHA256 85c69a8e62f24bab183bf5f689d818defff3d1a164f5aa3bee7b6a20087336ac
 MISC metadata.xml 495 RMD160 8d8009951af66115eb17c263a247d5ce8fe5400a SHA1 2e5459a0ee549635205ba783b278ab7feaabbcff SHA256 f8676d187607d38dcc1316bf051e6b5464f868d5a65d616f00af3a35f9a20f6e
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diff --git a/sci-chemistry/gamess/files/gamess-20090112.1.gentoo.patch b/sci-chemistry/gamess/files/gamess-20090112.1.gentoo.patch
deleted file mode 100644
index be7dd2e2cf4d..000000000000
--- a/sci-chemistry/gamess/files/gamess-20090112.1.gentoo.patch
+++ /dev/null
@@ -1,360 +0,0 @@
-diff -urN gamess.orig/comp gamess/comp
---- gamess.orig/comp	2009-02-20 01:39:06.000000000 +0300
-+++ gamess/comp	2009-02-20 01:39:23.000000000 +0300
-@@ -12,8 +12,8 @@
- #        sgi32,sgi64,sun32,sun64
- #  2. Choose your GAMESS directory tree.
- #
--set TARGET=ibm64
--chdir /u1/mike/gamess
-+set TARGET=gentoo-target
-+#chdir /u1/mike/gamess
- #
- #    ---- and now the script begins...
- #
-@@ -100,9 +100,7 @@
- #      1st is Fedora Core's, 2nd is ASCI download from ORNL, 3rd is Atlas
- #      the names of the latter two files on your system might well be
- #      different from these, edit here and in 'lked' to match your paths.
--if (($TARGET == linux32) && (-e /usr/lib/libblas.a))            set BLAS3=true
--if (($TARGET == linux32) && (-e /usr/local/bin/libblas-asci.a)) set BLAS3=true
--if (($TARGET == linux32) && (-e /usr/local/lib/libatlas.a))     set BLAS3=true
-+if ($TARGET == linux32)      set BLAS3=true
- #      For next two, assume that a math library will exist when
- #      we arrive at the link step: MKL or Atlas or ACML....
- if  ($TARGET == linux64)      set BLAS3=true
-@@ -1144,7 +1142,7 @@
- #   The only thing you need to change is the next line.
- #   Note: you must make the analogous choice in compddi and lked, as well.
- #
--    set FORTRAN=g77       # choose from g77, gfortran, ifort, pgf77, f2c
-+    set FORTRAN=gentoo-g77       # choose from g77, gfortran, ifort, pgf77, f2c
- #
-     switch ($FORTRAN)
- #
-@@ -1163,7 +1161,7 @@
- #   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
- #
-@@ -1199,7 +1197,7 @@
- #      -std=legacy  suppresses warnings about use of f77 constructs.
- #
-    case gfortran:
--   set OPT='-O2'
-+   set gentoo-OPT = '-O2'
-    if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling
-    if ($MODULE == pcmcv2) set OPT='-O1'  # EFP+CPCM, ala Francois, v4.1.2
-    if (($MODULE == qeigen) || ($MODULE == int2c)) then
-@@ -1229,7 +1227,7 @@
- #    optimizations in 32 bit mode, as a function of the ifort version.
- #
-    case ifort:
--   set OPT = '-O3'
-+   set gentoo-OPT = '-O2'
-    if ($MODULE == delocl) set OPT='-O0'  # from Cheol
-    if ($MODULE == zheev)  set OPT='-O0'
-    set echo
-@@ -1375,12 +1373,12 @@
- #   Note: you must make the analogous choice in compddi and lked, as well.
- #   If you wish to use ifort in 64 bit mode, use only target=linux-ia64.
- #
--   set FORTRAN=gfortran      # choose from gfortran, pgf77, pathf90
-+   set FORTRAN=gentoo-g77      # choose from gfortran, pgf77, pathf90
- #
-    switch ($FORTRAN)
- 
-    case gfortran:
--      set OPT='-O2'
-+      set gentoo-OPT = '-O2'
-       if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling
-       if (($MODULE == qeigen) || ($MODULE == int2c)) then
-          mv -f $MODULE.f $MODULE.junk
-diff -urN gamess.orig/compall gamess/compall
---- gamess.orig/compall	2009-02-20 01:39:06.000000000 +0300
-+++ gamess/compall	2009-02-20 01:39:23.000000000 +0300
-@@ -13,8 +13,8 @@
- #      sgi32,sgi64,sun32,sun64
- #  2. Choose your GAMESS directory tree.
- #
--set TARGET=ibm64
--chdir /u1/mike/gamess
-+set TARGET=gentoo-target
-+#chdir /u1/mike/gamess
- #
- #  ----- and now the script begins...
- #
-@@ -150,8 +150,8 @@
- if ($TARGET == axp64)      ./comp blas
- if ($TARGET == ibm64)      ./comp blas
- if ($TARGET == ibm-bg)     ./comp blas
--if ($TARGET == linux32)    ./comp blas
--if ($TARGET == linux64)    ./comp blas
-+#if ($TARGET == linux32)    ./comp blas
-+#if ($TARGET == linux64)    ./comp blas
- if ($TARGET == linux-ia64) ./comp blas
- if ($TARGET == sun32)      ./comp blas
- if ($TARGET == sun64)      ./comp blas
-@@ -450,7 +450,7 @@
- #
- #      optional Nuclear-Electronic Orbital method, using NEO code
- #
--set NEO=false
-+set NEO=true
- if ($NEO == true) then
-    ./comp neo
-    ./comp neobas
-diff -urN gamess.orig/ddi/compddi gamess/ddi/compddi
---- gamess.orig/ddi/compddi	2009-02-20 01:39:06.000000000 +0300
-+++ gamess/ddi/compddi	2009-02-20 01:39:23.000000000 +0300
-@@ -15,7 +15,7 @@
- #      linux32,linux64,linux-ia64,mac32,mac64,macG5,necsx,
- #      sgi32,sgi64,sun32,sun64
- #
--         set TARGET = ibm64
-+         set TARGET = gentoo-target
- 
- #  2. Choose DDI communication layer, the only legal values are
- #                   sockets,mixed,mpi,shmem,lapi,armci
-@@ -537,9 +537,9 @@
- #
-   if($TARGET == linux32) then
- 
--     set FORTRAN=g77       # choose from g77, gfortran, ifort, pgf77, f2c
-+     set FORTRAN=gentoo-g77       # choose from g77, gfortran, ifort, pgf77, f2c
- 
--     set CC = 'gcc'
-+     set gentoo-CC = 'gcc'
-      set CFLAGS = "-DLINUX -O3 -fstrict-aliasing -I./include"
- 
-      switch ($FORTRAN)
-@@ -578,12 +578,12 @@
- 
- #        for generic 64 bit Linux, choose one of the following,
- #           gfortran, pgf77, pathf90
--     if ($TARGET == linux64)    set FORTRAN=gfortran
-+     if ($TARGET == linux64)    set FORTRAN=gentoo-g77
- #
- #        for linux-ia64, leave the choice set to ifort (do not change!)
-      if ($TARGET == linux-ia64) set FORTRAN=ifort
- 
--     set CC = 'gcc'
-+     set gentoo-CC = 'gcc'
- 
-      if ($TARGET == linux64) then
-         set CFLAGS = "-DLINUX -m64 -O3 -fstrict-aliasing -I./include"
-diff -urN gamess.orig/ddi/tools/ddikick/ddikick.c gamess/ddi/tools/ddikick/ddikick.c
---- gamess.orig/ddi/tools/ddikick/ddikick.c	2009-02-20 01:39:06.000000000 +0300
-+++ gamess/ddi/tools/ddikick/ddikick.c	2009-02-20 01:39:23.000000000 +0300
-@@ -105,7 +105,7 @@
-           remoteshell = argv[++i];
-        } else {
-           if((remoteshell = getenv("DDI_RSH")) == NULL) {
--              remoteshell = (char *) strdup("rsh");
-+              remoteshell = (char *) strdup("ssh");
-           }
-        }
- 
-diff -urN gamess.orig/lked gamess/lked
---- gamess.orig/lked	2009-02-20 01:39:06.000000000 +0300
-+++ gamess/lked	2009-02-20 01:39:23.000000000 +0300
-@@ -15,8 +15,8 @@
- #       sgi32,sgi64,sun32,sun64
- #  2. Choose your GAMESS directory tree.
- #
--set TARGET=ibm64
--chdir /u1/mike/gamess
-+set TARGET=linux32
-+#chdir /u1/mike/gamess
- #
- #    ---- and now the script begins...
- #
-@@ -299,22 +299,22 @@
- #
- if ($TARGET == linux32) then
- #
--   set FORTRAN=g77       # choose from g77, gfortran, ifort, pgf77, f2c
-+   set FORTRAN=gentoo-g77       # choose from g77, gfortran, ifort, pgf77, f2c
- #
-    switch ($FORTRAN)
-      case g77:
-         set LDR='g77'
--        set LDOPTS=' '  # add '-Wl,-M' to see load map
-+        set gentoo-LDOPTS=' '  # add '-Wl,-M' to see load map
-         set LIBRARIES=' '
-         breaksw
-      case gfortran:
-         set LDR='gfortran'
--        set LDOPTS=' '
-+        set gentoo-LDOPTS=' '
-         set LIBRARIES=' '
-         breaksw
-      case ifort:
-         set LDR='ifort'
--        set LDOPTS=' '  # add '-Wl,-M' to see load map
-+        set gentoo-LDOPTS=' '  # add '-Wl,-M' to see load map
-         set LIBRARIES='-Vaxlib'
-         breaksw
-      case pgf77:
-@@ -344,22 +344,22 @@
- #  Additional libraries (not considered here) are 32 bit versions
- #  of Atlas, MKL, or ACML, they are perfectly reasonable choices.
- #
--   set BLASLIBRARY=' '
--   set BLAS='blas.o'  # turn this off if a math library exists...
-+   set BLASLIBRARY=`pkg-config --libs blas`
-+   set BLAS=''  
- #
--   if (-e /usr/lib/libblas.a) then
--      set BLASLIBRARY="-lblas"
--      set BLAS=' '
--   endif
--   if (-e /usr/local/bin/libblas-asci.a) then
--      set BLASLIBRARY="/usr/local/bin/libblas-asci.a"
--      set BLAS=' '
--   endif
--   if (-e /usr/local/lib/libatlas.a) then
--      set BLASLIBRARY="/usr/local/lib/libf77blas.a"
--      set BLASLIBRARY="$BLASLIBRARY /usr/local/lib/libatlas.a"
--      set BLAS=' '
--   endif
-+#   if (-e /usr/lib/libblas.a) then
-+#      set BLASLIBRARY="-lblas"
-+#      set BLAS=' '
-+#   endif
-+#   if (-e /usr/local/bin/libblas-asci.a) then
-+#      set BLASLIBRARY="/usr/local/bin/libblas-asci.a"
-+#      set BLAS=' '
-+#   endif
-+#   if (-e /usr/local/lib/libatlas.a) then
-+#      set BLASLIBRARY="/usr/local/lib/libf77blas.a"
-+#      set BLASLIBRARY="$BLASLIBRARY /usr/local/lib/libatlas.a"
-+#      set BLAS=' '
-+#   endif
- #
-    if ($BLAS == 'blas.o') then
-       echo " "
-diff -urN gamess.orig/runall gamess/runall
---- gamess.orig/runall	2009-02-20 01:39:07.000000000 +0300
-+++ gamess/runall	2009-02-20 01:39:23.000000000 +0300
-@@ -10,7 +10,7 @@
- #
- #  Only the following two lines need to be customized:
- #
--chdir /u1/mike/gamess
-+#chdir /u1/mike/gamess
- set VERNO=00
- #
- #  Loop over all Ntest jobs supplied with GAMESS
-diff -urN gamess.orig/rungms gamess/rungms
---- gamess.orig/rungms	2009-02-20 01:39:07.000000000 +0300
-+++ gamess/rungms	2009-02-20 01:42:12.000000000 +0300
-@@ -55,7 +55,7 @@
- #       of using LoadLeveler via a "llgms" front end in ~/gamess/misc.
- #
- set TARGET=sockets
--set SCR=/scr/$USER
-+set SCR=`pwd`
- #
- set JOB=$1      # name of the input file xxx.inp, give only the xxx part
- set VERNO=$2    # revision number of the executable created by 'lked' step
-@@ -122,17 +122,17 @@
- #
- set echo
- #                        ASCII input files (see explanation above)
--setenv ERICFMT ~mike/gamess/ericfmt.dat
--setenv MCPPATH ~mike/gamess/mcpdata
-+setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat
-+setenv MCPPATH /usr/share/gamess/mcpdata
- setenv  EXTBAS /dev/null
- setenv  NUCBAS /dev/null
- #
--setenv  MAKEFP ~$USER/scr/$JOB.efp
--setenv   GAMMA ~$USER/scr/$JOB.gamma
--setenv TRAJECT ~$USER/scr/$JOB.trj
--setenv RESTART ~$USER/scr/$JOB.rst
-+setenv  MAKEFP $SCR/$JOB.efp
-+setenv   GAMMA $SCR/$JOB.gamma
-+setenv TRAJECT $SCR/$JOB.trj
-+setenv RESTART $SCR/$JOB.rst
- 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
-@@ -308,7 +308,7 @@
-     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
-@@ -426,7 +426,7 @@
-    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 == Linux)   set GMSPATH=/cu/mike/gamess
-+   if ($os == Linux)   set GMSPATH=/usr/bin
-    if ($os == OSF1)    set GMSPATH=/in/mike/gamess
-    if ($os == SunOS)   set GMSPATH=/hf/mike/gamess
- #       special compilation for Sun E450 uSPARC       (uname also= SunOS)
-@@ -471,33 +471,6 @@
-       set HOSTLIST=(`hostname`)
-    endif
- #
--#       2. This is an example of how to run on a 4-way SMP enclosure,
--#          where all CPUs (aka COREs) are inside a -single- NODE.
--#          The example is repeated for some nodes we use as 2-way's.
--   if ($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 -urN gamess.orig/source/zunix.c gamess/source/zunix.c
---- gamess.orig/source/zunix.c	2009-02-20 01:39:07.000000000 +0300
-+++ gamess/source/zunix.c	2009-02-20 01:39:23.000000000 +0300
-@@ -360,6 +360,7 @@
- #ifdef LINUX32
- 
- #include <stdlib.h>
-+#include <string.h>
- int memget_(nwords) int *nwords;
-    { int nbytes;
-      nbytes = (*nwords+2)*8;
-@@ -441,6 +442,7 @@
- 
- #include <stdlib.h>
- #include <malloc.h>
-+#include <string.h>
- 
- #define FORTINT long
- 
diff --git a/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild b/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild
deleted file mode 100644
index 5173ebdd5015..000000000000
--- a/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild
+++ /dev/null
@@ -1,261 +0,0 @@
-# Copyright 1999-2010 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild,v 1.11 2010/12/20 19:37:00 jlec Exp $
-
-inherit eutils toolchain-funcs flag-o-matic
-
-DESCRIPTION="A powerful quantum chemistry package"
-HOMEPAGE="http://www.msg.chem.iastate.edu/GAMESS/GAMESS.html"
-SRC_URI="
-		${P}.tar.gz
-		qmmm-tinker? ( tinker.tar.Z )"
-
-LICENSE="gamess"
-SLOT="0"
-KEYWORDS="amd64 ppc x86"
-IUSE="hardened qmmm-tinker"
-
-DEPEND="app-shells/tcsh
-	hardened? ( sys-apps/paxctl )
-	virtual/blas"
-
-RDEPEND="${DEPEND}
-	net-misc/openssh"
-
-RESTRICT="fetch"
-
-S="${WORKDIR}/${PN}"
-
-GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html"
-GAMESS_VERSION="12 JAN 2009 (R1)"
-
-pkg_nofetch() {
-	echo
-	elog "Please download ${PN}-current.tar.gz from"
-	elog "${GAMESS_DOWNLOAD}."
-	elog "Be sure to select the version ${GAMESS_VERSION} tarball!!"
-	elog "Then move the tarball to"
-	elog "${DISTDIR}/${P}.tar.gz"
-	if use qmmm-tinker ; then
-		elog "Also download http://www.msg.ameslab.gov/GAMESS/tinker.tar.Z"
-		elog "and place tinker.tar.Z to ${DISTDIR}"
-	fi
-	echo
-}
-
-get_fcomp() {
-	case $(tc-getFC) in
-		*gfortran* )
-			FCOMP="gfortran" ;;
-		ifort )
-			FCOMP="ifc" ;;
-		* )
-			FCOMP=$(tc-getFC) ;;
-	esac
-}
-
-pkg_setup() {
-	get_fcomp
-	# currently amd64 is only supported with gfortran
-	if [[ "${ARCH}" == "amd64" ]] && [[ ${FCOMP} != *gfortran* ]];
-		then die "You will need gfortran to compile gamess on amd64"
-	fi
-
-	if use qmmm-tinker; then
-		einfo "By default MM subsistem is restricted to 1000 atoms"
-		einfo "if you want larger MM subsystems then you should set"
-		einfo "QMMM_GAMESS_MAXMM variable to needed value in your make.conf"
-		ebeep 5
-	fi
-}
-
-src_unpack() {
-	unpack ${A}
-	mv tinker gamess/
-	# apply LINUX-arch patches to gamess makesfiles
-	epatch "${FILESDIR}"/${P}.gentoo.patch
-
-	# select arch
-	# NOTE: please leave lked alone; it should be good as is!!
-	cd "${S}"
-	local active_arch;
-	if [[ "${ARCH}" == "amd64" ]]; then
-		active_arch="linux64";
-	else
-		active_arch="linux32";
-	fi
-	sed -e "s:gentoo-target:${active_arch}:" \
-		-i comp compall ddi/compddi \
-		|| die "Failed to select proper architecure"
-
-	# for hardened-gcc let't turn off ssp, since it breakes
-	# a few routines
-	if use hardened && [[ ${FCOMP} == g77 ]]; then
-		FFLAGS="${FFLAGS} -fno-stack-protector-all"
-	fi
-
-	# enable NEO
-	sed -e "s:NEO=false:NEO=true:" -i compall lked || \
-		die "Failed to enable NEO code"
-	# enable GAMESS-qmmm
-	if use qmmm-tinker; then
-		sed -e "s:TINKER=false:TINKER=true:" -i compall lked || \
-			die "Failed to enable TINKER code"
-		if [ "x$QMMM_GAMESS_MAXMM" == "x" ]; then
-			einfo "No QMMM_GAMESS_MAXMM set. Using default value = 1000"
-		else
-			einfo "Setting QMMM_GAMESS_MAXMM to $QMMM_GAMESS_MAXMM"
-			sed -e "s:maxatm=1000:maxatm=$QMMM_GAMESS_MAXMM:g" \
-			 -i tinker/sizes.i \
-			 || die "Setting QMMM_GAMESS_MAXMM failed"
-			sed -e "s:MAXATM=1000:MAXATM=$QMMM_GAMESS_MAXMM:g" \
-			 -i source/inputb.src \
-			 || die "Setting QMMM_GAMESS_MAXMM failed"
-		fi
-	fi
-	# greate proper activate sourcefile
-	cp "./tools/actvte.code" "./tools/actvte.f" || \
-		die "Failed to create actvte.f"
-	sed -e "s/^\*UNX/    /" -i "./tools/actvte.f" || \
-		die "Failed to perform UNX substitutions in actvte.f"
-
-	# fix GAMESS' compall script to use proper CC
-	sed -e "s|\$CCOMP -c \$extraflags source/zunix.c|$(tc-getCC) -c \$extraflags source/zunix.c|" \
-		-i compall || die "Failed setting up compall script"
-
-	# insert proper FFLAGS into GAMESS' comp makefile
-	# in case we're using ifc let's strip all the gcc
-	# specific stuff
-	if [[ ${FCOMP} == "ifort" ]]; then
-		sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS} -quiet'/" \
-			-e "s/gentoo-g77/${FCOMP}/" \
-			-i comp || die "Failed setting up comp script"
-	elif ! use x86; then
-		sed -e "s/-malign-double //" \
-			-e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \
-			-e "s/gentoo-g77/${FCOMP}/" \
-			-i comp || die "Failed setting up comp script"
-	else
-		sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \
-			-e "s/gentoo-g77/${FCOMP}/" \
-			-i comp || die "Failed setting up comp script"
-	fi
-
-	# fix up GAMESS' linker script;
-	sed -e "s/gentoo-g77/${FCOMP}/" \
-		-e "s/gentoo-LDOPTS=' '/LDOPTS='${LDFLAGS}'/" \
-		-i lked || die "Failed setting up lked script"
-
-	# fix up GAMESS' ddi TCP/IP socket build
-	sed -e "s/gentoo-CC = 'gcc'/CC = '$(tc-getCC)'/" \
-		-e "s/gentoo-g77/${FCOMP}/" \
-		-i ddi/compddi || die "Failed setting up compddi script"
-
-	# fix up the checker scripts for gamess tests
-	sed -e "s:set GMSPATH:#set GMSPATH:g" \
-		-e "s:\$GMSPATH/tools/checktst:.:g" \
-		-i tools/checktst/checktst
-}
-
-src_compile() {
-	# build actvte
-	cd "${S}"/tools
-	"$(tc-getFC)" -o actvte.x actvte.f || \
-		die "Failed to compile actvte.x"
-
-	# for hardened (PAX) users and ifc we need to turn
-	# MPROTECT off
-	if [[ ${FCOMP} == "ifort" ]] && use hardened; then
-		/sbin/paxctl -PemRxS actvte.x 2> /dev/null || \
-			die "paxctl failed on actvte.x"
-	fi
-
-	# build gamess
-	cd "${S}"
-	./compall || die "compall failed"
-
-	# build the ddi TCP/IP socket stuff
-	cd ${S}/"ddi"
-	./compddi || die "compddi failed"
-
-	# finally, link it all together
-	cd "${S}"
-	./lked || die "lked failed"
-
-	# for hardened (PAX) users and ifc we need to turn
-	# MPROTECT off
-	if [[ ${FCOMP} == "ifort" ]] && use hardened; then
-		/sbin/paxctl -PemRxS ${PN}.00.x 2> /dev/null || \
-			die "paxctl failed on actvte.x"
-	fi
-}
-
-src_install() {
-	# the executables
-	dobin ${PN}.00.x ddi/ddikick.x rungms \
-		|| die "Failed installing binaries"
-
-	# the docs
-	dodoc *.DOC qmnuc/*.DOC || die "Failed installing docs"
-
-	# install ericftm
-	insinto /usr/share/${PN}/ericfmt
-	doins ericfmt.dat || die "Failed installing ericfmt.dat"
-
-	# install mcpdata
-	insinto /usr/share/${PN}/mcpdata
-	doins mcpdata/* || die "Failed installing mcpdata"
-
-	# install tinker params in case of qmmm
-	if use qmmm-tinker ; then
-			dodoc tinker/simomm.doc || die "Failed installing docs"
-			insinto /usr/share/${PN}
-			doins -r tinker/params || die "Failed to install Tinker params"
-	fi
-
-	# install the tests the user should run, and
-	# fix up the runscript; also grab a copy of rungms
-	# so the user is ready to run the tests
-	insinto /usr/share/${PN}/tests
-	insopts -m0644
-	doins tests/* || die "Failed installing tests"
-	insopts -m0744
-	doins runall || die "Failed installing tests"
-	doins tools/checktst/checktst tools/checktst/chkabs || \
-		die "Failed to install main test checker"
-	doins tools/checktst/exam* || \
-		die "Failed to install individual test files"
-
-	insinto /usr/share/${PN}/neotests
-	insopts -m0644
-	doins -r qmnuc/neotests/* || die "Failed to install NEO tests"
-}
-
-pkg_postinst() {
-	echo
-	einfo "Before you use GAMESS for any serious work you HAVE"
-	einfo "to run the supplied test files located in"
-	einfo "/usr/share/gamess/tests and check them thoroughly."
-	einfo "Otherwise all scientific publications resulting from"
-	einfo "your GAMESS runs should be immediately rejected :)"
-	einfo "To do so copy the content of /usr/share/gamess/tests"
-	einfo "to some temporary location and execute './runall'. "
-	einfo "Then run the checktst script in the same directory to"
-	einfo "validate the tests."
-	einfo "Please consult TEST.DOC and the other docs!"
-
-	if [[ ${FCOMP} == "ifort" ]]; then
-		echo
-		ewarn "IMPORTANT NOTE: We STRONGLY recommend to stay away"
-		ewarn "from ifc-9.0 for now and use the ifc-8.1 series of"
-		ewarn "compilers UNLESS you can run through ALL of the "
-		ewarn "test cases (see above) successfully."
-	fi
-
-	echo
-	einfo "If you want to run on more than a single CPU"
-	einfo "you will have to acquaint yourself with the way GAMESS"
-	einfo "does multiprocessor runs and adjust rungms according to"
-	einfo "your target network architecture."
-	echo
-}
diff --git a/sci-chemistry/gamess/gamess-20101001.1.ebuild b/sci-chemistry/gamess/gamess-20101001.1.ebuild
index a4646bbc5d9a..ca1ae9434627 100644
--- a/sci-chemistry/gamess/gamess-20101001.1.ebuild
+++ b/sci-chemistry/gamess/gamess-20101001.1.ebuild
@@ -1,6 +1,6 @@
 # Copyright 1999-2010 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20101001.1.ebuild,v 1.6 2010/12/20 19:37:00 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20101001.1.ebuild,v 1.7 2010/12/29 18:31:56 alexxy Exp $
 
 EAPI="3"
 
@@ -212,7 +212,7 @@ src_prepare() {
 	#!/bin/csh
 	setenv GMS_PATH $WORKDIR/gamess
 	setenv GMS_TARGET $active_arch
-	setenv GMS_FORTRAN $FORTRANC
+	setenv GMS_FORTRAN $FCOMP
 	setenv GMS_MATHLIB atlas
 	setenv GMS_MATHLIB_PATH  /usr/$(get_libdir)/atlas
 	setenv GMS_DDI_COMM sockets