[sci-chemistry/gamess] Fix neo build

Package-Manager: portage-2.2.0_alpha18_p3/cvs/Linux x86_64

4 files changed, 52 insertions, 20 deletions

diff --git a/sci-chemistry/gamess/ChangeLog b/sci-chemistry/gamess/ChangeLog
index 0b91c031472b..a28f95c02e85 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 1.48 2010/12/29 18:31:56 alexxy Exp $
+# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.49 2011/01/23 12:42:58 alexxy Exp $
+
+*gamess-20101001.1-r1 (23 Jan 2011)
+
+  23 Jan 2011; Alexey Shvetsov <alexxy@gentoo.org> -gamess-20101001.1.ebuild,
+  +gamess-20101001.1-r1.ebuild, +files/gamess-neo-fix.patch:
+  Fix neo build for gamess
 
   29 Dec 2010; Alexey Shvetsov <alexxy@gentoo.org>
   -gamess-20090112.1-r1.ebuild, -files/gamess-20090112.1.gentoo.patch,
diff --git a/sci-chemistry/gamess/Manifest b/sci-chemistry/gamess/Manifest
index d53e59a47989..392490971247 100644
--- a/sci-chemistry/gamess/Manifest
+++ b/sci-chemistry/gamess/Manifest
@@ -2,26 +2,27 @@
 Hash: SHA256
 
 AUX gamess-20101001.1.gentoo.patch 59033 RMD160 d280d5d9c874f0b8226f6cc9bfa554922cb763aa SHA1 76ae8acfd0b61d9138ac4e57b21ffd7d9fa68099 SHA256 787f3b4ebc8c467b991d69a1da600febe8c33acd41f65f1eb8e9dca244a3bcac
+AUX gamess-neo-fix.patch 824 RMD160 66e303dd6912150c262d6c00eadb6ac40e5520e6 SHA1 20feb714ec61c23b184ad2a2ddc64517b5e5cabf SHA256 2dafa7af0f6d2872f2e274d36c373735cedd0889a41ab6a175cbf22f7e850452
 AUX gamess-qmmm-tinker-fix-idate.patch 611 RMD160 cdcf164d80f36db3a631659d85b7e099118c971d SHA1 3e29aed5b0933ebe598f8d2c9d7315c4f48da0be SHA256 db62d639b96f64493754baa5565322ff21b295e8abee40fca270d9c95dfaa435
 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-20101001.1.ebuild 10001 RMD160 77eed9f8d5a610f70ac560bde8b669adeabd8d01 SHA1 6b2de2218dc43dc5ee191830dcf33fac625cf859 SHA256 fcec57ac5d6141ce454a4173e723a885bc4ba55086f4142da3075f6a83ed07c0
-MISC ChangeLog 10337 RMD160 09e15e5360e7cb2c1d2fc3bbdfe683b398e2555e SHA1 b4116aa7fc54b32e22e3872b27e70bd2556bccef SHA256 85c69a8e62f24bab183bf5f689d818defff3d1a164f5aa3bee7b6a20087336ac
+EBUILD gamess-20101001.1-r1.ebuild 10047 RMD160 cb2a45089e646027657e474062d42908b1ef101e SHA1 e34443acc1f85f47e268100db77b201e82fcaae5 SHA256 20791302639fc479177ac0867e47bd1e09fdd6dd94f7282f29be0d7fd612222a
+MISC ChangeLog 10541 RMD160 20dcc0575188546a3f563e211356c324e4ef3139 SHA1 63d05f107f3e381e723b58a7920b5ec2ae9a0c96 SHA256 396ee1d7b11e193c81c7ff86134211ef6619f862183761bae36c3f10e7e2a08e
 MISC metadata.xml 495 RMD160 8d8009951af66115eb17c263a247d5ce8fe5400a SHA1 2e5459a0ee549635205ba783b278ab7feaabbcff SHA256 f8676d187607d38dcc1316bf051e6b5464f868d5a65d616f00af3a35f9a20f6e
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diff --git a/sci-chemistry/gamess/files/gamess-neo-fix.patch b/sci-chemistry/gamess/files/gamess-neo-fix.patch
new file mode 100644
index 000000000000..299b4a0db72d
--- /dev/null
+++ b/sci-chemistry/gamess/files/gamess-neo-fix.patch
@@ -0,0 +1,24 @@
+diff -urN gamess.orig/qmnuc/neo/neogrd.src gamess/qmnuc/neo/neogrd.src
+--- gamess.orig/qmnuc/neo/neogrd.src	2010-06-16 22:46:15.000000000 +0400
++++ gamess/qmnuc/neo/neogrd.src	2011-01-23 15:35:56.000000000 +0300
+@@ -1435,20 +1435,10 @@
+ C
+       DO 790 IC = 1,MAXIC
+          IF(ICHARM.EQ.0) THEN
+-            IF(IC.LE.NAT) THEN
+                ZNUC = -ZAN(IC)
+-C              ZNUC =  ZAN(IC)
+                CX = C(1,IC)
+                CY = C(2,IC)
+                CZ = C(3,IC)
+-            ELSE
+-               IAZ=IATSP(IC-NAT)
+-               ZNUC = -COSZAN(IC-NAT)
+-C              ZNUC =  COSZAN(IC-NAT)
+-               CX = CORZAN(1,IC-NAT)
+-               CY = CORZAN(2,IC-NAT)
+-               CZ = CORZAN(3,IC-NAT)
+-            END IF
+          ELSE
+             ZNUC = -QCHM(ICHARM)
+             CX = XCHM(ICHARM)
diff --git a/sci-chemistry/gamess/gamess-20101001.1.ebuild b/sci-chemistry/gamess/gamess-20101001.1-r1.ebuild
index ca1ae9434627..260b9c53d6e5 100644
--- a/sci-chemistry/gamess/gamess-20101001.1.ebuild
+++ b/sci-chemistry/gamess/gamess-20101001.1-r1.ebuild
@@ -1,6 +1,6 @@
-# Copyright 1999-2010 Gentoo Foundation
+# Copyright 1999-2011 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 1.7 2010/12/29 18:31:56 alexxy Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20101001.1-r1.ebuild,v 1.1 2011/01/23 12:42:58 alexxy Exp $
 
 EAPI="3"
 
@@ -132,6 +132,7 @@ src_prepare() {
 
 	# enable NEO
 	if use neo; then
+		epatch "${FILESDIR}/${PN}-neo-fix.patch"
 		sed -e "s:NEO=false:NEO=true:" -i compall lked || \
 			die "Failed to enable NEO code"
 	else