Bumped GAMESS to most recent version and changed ebuild naming to properly reflect the revision number; this fixes bug #114278. Removed old ebuild.

(Portage version: 2.0.51.22-r3)

6 files changed, 45 insertions, 27 deletions

diff --git a/sci-chemistry/gamess/ChangeLog b/sci-chemistry/gamess/ChangeLog
index a25c1cb6ca4a..1839bea86dfb 100644
--- a/sci-chemistry/gamess/ChangeLog
+++ b/sci-chemistry/gamess/ChangeLog
@@ -1,6 +1,14 @@
 # ChangeLog for sci-chemistry/gamess
 # Copyright 1999-2005 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.2 2005/11/08 17:13:05 markusle Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.3 2005/12/03 18:26:15 markusle Exp $
+
+*gamess-05272005.3 (03 Dec 2005)
+
+  03 Dec 2005; Markus Dittrich <markusle@gentoo.org>
+  files/rungms-gentoo.patch, -gamess-05272005.ebuild,
+  +gamess-05272005.3.ebuild:
+  Bumped GAMESS to most recent version and changed ebuild naming to properly
+  reflect the revision number; this fixes bug #114278. Removed old ebuild.
 
   08 Nov 2005; Markus Dittrich <markusle@gentoo.org> ChangeLog:
   marked gamess-05272005.ebuild as ~x86
diff --git a/sci-chemistry/gamess/Manifest b/sci-chemistry/gamess/Manifest
index 041aa0cd03e7..3d636aaccf4c 100644
--- a/sci-chemistry/gamess/Manifest
+++ b/sci-chemistry/gamess/Manifest
@@ -1,11 +1,11 @@
-MD5 e8532902166cb90f198e1f2b931d9d30 gamess-05272005.ebuild 6710
-MD5 7dd584ab14884b1253d01ae1cfbe5c14 ChangeLog 817
+MD5 dfd0f8912c29b499e964242cd9ee0f61 gamess-05272005.3.ebuild 7055
+MD5 af345de28df719cd510a2c357dca08f5 ChangeLog 1140
 MD5 041650a939ada57b9df1755a488ad1b7 metadata.xml 254
 MD5 bfc4049f6e2546889b161c6c9b3be72f files/runall-gentoo.patch 688
-MD5 42ad79e7a475c0246839aa8137381e43 files/digest-gamess-05272005 67
 MD5 d2f6837d02ac960e7bed4addf9632eec files/lked-gentoo.patch 783
+MD5 51d32e48137f8f59ff14cd870cbc70b2 files/digest-gamess-05272005.3 70
 MD5 e980cc327bd2de746b91a395f1af3e0f files/compddi-gentoo.patch 975
 MD5 cc629344d268783ea8be555bd06249af files/comp-gentoo.patch 1276
 MD5 88aa0ef3a19289c609a5167e2176bbf6 files/compall-gentoo.patch 445
 MD5 7635651c5b13ead41c16d56094238fcb files/ddi-use-ssh-gentoo.patch 518
-MD5 5fa801207d43042213344c896962c84d files/rungms-gentoo.patch 1754
+MD5 b071fb871be1c8b9bc57bcd160dc6fd9 files/rungms-gentoo.patch 1801
diff --git a/sci-chemistry/gamess/files/digest-gamess-05272005 b/sci-chemistry/gamess/files/digest-gamess-05272005
deleted file mode 100644
index 505c63894ac0..000000000000
--- a/sci-chemistry/gamess/files/digest-gamess-05272005
+++ /dev/null
@@ -1 +0,0 @@
-MD5 3aa67e3db20051d372f6fc79c47c3abe gamess-current.tar.gz 5761028
diff --git a/sci-chemistry/gamess/files/digest-gamess-05272005.3 b/sci-chemistry/gamess/files/digest-gamess-05272005.3
new file mode 100644
index 000000000000..fe86e56c2ef2
--- /dev/null
+++ b/sci-chemistry/gamess/files/digest-gamess-05272005.3
@@ -0,0 +1 @@
+MD5 1478f6223f5096d00552806f2a98fd9e gamess-05272005.3.tar.gz 6339705
diff --git a/sci-chemistry/gamess/files/rungms-gentoo.patch b/sci-chemistry/gamess/files/rungms-gentoo.patch
index 8e6e9641145c..1c53445dce8e 100644
--- a/sci-chemistry/gamess/files/rungms-gentoo.patch
+++ b/sci-chemistry/gamess/files/rungms-gentoo.patch
@@ -1,10 +1,7 @@
-# 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.
+--- 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
@@ -12,33 +9,36 @@
  #
  set JOB=$1      # name of the input file xxx.inp, give only the xxx part
  set VERNO=$2    # revision number of the executable created by 'lked' step
-@@ -90,11 +90,11 @@
- #  is therefore most suitable to be stored only once, on the file server.
+@@ -113,13 +113,13 @@
  #
  set echo
+ #                        three ASCII input files (see explanation above)
 -setenv ERICFMT ~mike/gamess/ericfmt.dat
+-setenv MCPPATH ~mike/gamess/mcpdata
 +setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat
++setenv MCPPATH /usr/share/gamess/mcpdata
  setenv  EXTBAS /dev/null
--setenv IRCDATA ~/scr/$JOB.irc
+ #
+-setenv IRCDATA ~$USER/scr/$JOB.irc
 +setenv IRCDATA $SCR/$JOB.irc
  setenv   INPUT $SCR/$JOB.F05
--setenv   PUNCH ~/scr/$JOB.dat
+-setenv   PUNCH ~$USER/scr/$JOB.dat
 +setenv   PUNCH $SCR/$JOB.dat
  setenv  AOINTS $SCR/$JOB.F08
  setenv  MOINTS $SCR/$JOB.F09
  setenv DICTNRY $SCR/$JOB.F10
-@@ -124,8 +124,8 @@
+@@ -149,8 +149,8 @@
  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 ~$USER/scr/$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
-@@ -266,7 +266,7 @@
+@@ -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
diff --git a/sci-chemistry/gamess/gamess-05272005.ebuild b/sci-chemistry/gamess/gamess-05272005.3.ebuild
index 8ac890c4cee2..b81f96a34e95 100644
--- a/sci-chemistry/gamess/gamess-05272005.ebuild
+++ b/sci-chemistry/gamess/gamess-05272005.3.ebuild
@@ -1,13 +1,13 @@
 # Copyright 1999-2005 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-05272005.ebuild,v 1.1 2005/09/20 02:20:37 ribosome Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-05272005.3.ebuild,v 1.1 2005/12/03 18:26:15 markusle Exp $
 
 inherit eutils toolchain-funcs fortran
 
 DESCRIPTION="A powerful quantum chemistry package"
 LICENSE="gamess"
 HOMEPAGE="http://www.msg.ameslab.gov/GAMESS/GAMESS.html"
-SRC_URI="${PN}-current.tar.gz"
+SRC_URI="${P}.tar.gz"
 
 SLOT="0"
 KEYWORDS="~x86"
@@ -27,14 +27,16 @@ RDEPEND="app-shells/tcsh
 S="${WORKDIR}/${PN}"
 
 GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html"
+GAMESS_VERSION="27 JUN 2005 (R3)"
+
 
 pkg_nofetch() {
 	echo
 	einfo "Please download ${PN}-current.tar.gz from"
-	einfo "${GAMESS_DOWNLOAD}"
-	einfo "after agreeing to the license and then move it to "
-	einfo "${DISTDIR}"
-	einfo "Be sure to select the version 27 JUN 2005 tarball!!"
+	einfo "${GAMESS_DOWNLOAD}."
+	einfo "Be sure to select the version ${GAMESS_VERSION} tarball!!"
+	einfo "Then move the tarball to"
+	einfo "${DISTDIR}/${P}.tar.gz"
 	echo
 }
 
@@ -175,6 +177,10 @@ src_install() {
 	insinto /usr/share/${PN}/ericfmt
 	doins ericfmt.dat || die "Failed installing ericfmt.dat"
 
+	# install mcpdata
+	insinto /usr/share/${PN}/mcpdata
+	doins mcpdata/* || die "Failed installing mcpdata"
+
 	# install rungms, also supply a copy for the test	
 	# files
 	insinto /usr/share/${PN}/rungms
@@ -201,6 +207,10 @@ pkg_postinst() {
 	ewarn "To do so copy the content of /usr/share/gamess/tests"
 	ewarn "to some temporary location and execute './runall'. "
 	ewarn "Please consult TEST.DOC and the other docs!"
+	ewarn "NOTE: Due to a g77 implementation issue the TDHF code"
+	ewarn "      currently does not work and exam39 will, therefore,"
+	ewarn "      not run properly. Please watch bug #114367 "
+	ewarn "      for this issue!"
 
 	if use ifc; then
 		echo