[sci-chemistry/gamess] Make neo optional also fix qmmm compilation

(Portage version: 2.2.0_alpha7_p1/cvs/Linux x86_64)

4 files changed, 33 insertions, 5 deletions

diff --git a/sci-chemistry/gamess/ChangeLog b/sci-chemistry/gamess/ChangeLog
index 54f5411725fa..bfd704de75a1 100644
--- a/sci-chemistry/gamess/ChangeLog
+++ b/sci-chemistry/gamess/ChangeLog
@@ -1,6 +1,10 @@
 # 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 1.43 2010/12/07 17:52:17 alexxy Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.44 2010/12/07 23:53:35 alexxy Exp $
+
+  07 Dec 2010; Alexey Shvetsov <alexxy@gentoo.org> gamess-20101001.1.ebuild,
+  +files/gamess-qmmm-tinker-fix-idate.patch, metadata.xml:
+  Make neo optional also fix qmmm compilation
 
 *gamess-20101001.1 (07 Dec 2010)
 
diff --git a/sci-chemistry/gamess/files/gamess-qmmm-tinker-fix-idate.patch b/sci-chemistry/gamess/files/gamess-qmmm-tinker-fix-idate.patch
new file mode 100644
index 000000000000..34f291382d41
--- /dev/null
+++ b/sci-chemistry/gamess/files/gamess-qmmm-tinker-fix-idate.patch
@@ -0,0 +1,20 @@
+diff -urN gamess/tinker.orig/Libtad.f gamess/tinker/Libtad.f
+--- gamess/tinker.orig/Libtad.f	2010-05-12 21:41:56.000000000 +0400
++++ gamess/tinker/Libtad.f	2010-12-08 01:05:31.000000000 +0300
+@@ -1332,11 +1332,15 @@
+ c     and for Macintosh under Absoft Pro Fortran 5.0
+ c
+       integer hms(3)
++      integer tarray(3)
+       call itime (hms)
+       hour = hms(1)
+       minute = hms(2)
+       second = hms(3)
+-      call idate (month,day,year)
++      call idate (tarray)
++      month = tarray(1)
++      day = tarray(2)
++      year = tarray(3)
+ c
+ c     code for IBM RS/6000 under AIX appends an underscore
+ c
diff --git a/sci-chemistry/gamess/gamess-20101001.1.ebuild b/sci-chemistry/gamess/gamess-20101001.1.ebuild
index 61e8a63f0760..16a6893babb3 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 1.1 2010/12/07 17:52:17 alexxy Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20101001.1.ebuild,v 1.2 2010/12/07 23:53:37 alexxy Exp $
 
 EAPI="3"
 
@@ -20,7 +20,7 @@ SLOT="0"
 # new version comes out the stable version will be useless since
 # users can not get at the tarball any more.
 KEYWORDS="~amd64 ~ppc ~x86"
-IUSE="hardened mpi qmmm-tinker"
+IUSE="hardened mpi neo qmmm-tinker"
 
 RESTRICT="fetch"
 
@@ -122,10 +122,13 @@ src_prepare() {
 	fi
 
 	# enable NEO
-	sed -e "s:NEO=false:NEO=true:" -i compall lked || \
-		die "Failed to enable NEO code"
+	if use neo; then
+		sed -e "s:NEO=false:NEO=true:" -i compall lked || \
+			die "Failed to enable NEO code"
+	fi
 	# enable GAMESS-qmmm
 	if use qmmm-tinker; then
+		epatch "${FILESDIR}/${PN}-qmmm-tinker-fix-idate.patch"
 		sed -e "s:TINKER=false:TINKER=true:" -i compall lked || \
 			die "Failed to enable TINKER code"
 		if [ "x$QMMM_GAMESS_MAXMM" == "x" ]; then
diff --git a/sci-chemistry/gamess/metadata.xml b/sci-chemistry/gamess/metadata.xml
index 1ee128aaacb2..195c8ba75e79 100644
--- a/sci-chemistry/gamess/metadata.xml
+++ b/sci-chemistry/gamess/metadata.xml
@@ -11,6 +11,7 @@
 	</maintainer>
 	<herd>sci-chemistry</herd>
 	<use>
+		<flag name='neo'>Enable NEO for nuclear basis support</flag>
 		<flag name='qmmm-tinker'>Enable tinker qmmm code</flag>
 	</use>
 </pkgmetadata>