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authorAlexey Shvetsov <alexxy@gentoo.org>2010-05-24 12:42:17 +0000
committerAlexey Shvetsov <alexxy@gentoo.org>2010-05-24 12:42:17 +0000
commitbd44f43cd461274d0b7e81a0eb58f67d7c2813a9 (patch)
tree2a72ee61f248bf5b0d580b552053df076fbe2d70 /sci-chemistry/gamess
parent[sci-chemistry/gamess] Version bump. Also this version has improved qmmm support (diff)
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[sci-chemistry/gamess] Fix typo
(Portage version: 2.2_rc67/cvs/Linux x86_64)
Diffstat (limited to 'sci-chemistry/gamess')
-rw-r--r--sci-chemistry/gamess/gamess-20090112.1-r1.ebuild4
-rw-r--r--sci-chemistry/gamess/gamess-20100325.2.ebuild9
2 files changed, 4 insertions, 9 deletions
diff --git a/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild b/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild
index f39c9e68c8e2..dd70beae36a0 100644
--- a/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild
+++ b/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild
@@ -1,6 +1,6 @@
-# Copyright 1999-2009 Gentoo Foundation
+# 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 1.7 2009/11/07 16:21:39 volkmar Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20090112.1-r1.ebuild,v 1.8 2010/05/24 12:42:17 alexxy Exp $
inherit eutils toolchain-funcs fortran flag-o-matic
diff --git a/sci-chemistry/gamess/gamess-20100325.2.ebuild b/sci-chemistry/gamess/gamess-20100325.2.ebuild
index 753db5d445ec..ebd202b339ff 100644
--- a/sci-chemistry/gamess/gamess-20100325.2.ebuild
+++ b/sci-chemistry/gamess/gamess-20100325.2.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-20100325.2.ebuild,v 1.1 2010/05/24 12:38:11 alexxy Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20100325.2.ebuild,v 1.2 2010/05/24 12:42:17 alexxy Exp $
EAPI="2"
@@ -62,10 +62,6 @@ pkg_setup() {
# note about qmmm-tinker
if use qmmm-tinker; then
- if [ "x$QMMM_GAMESS_MAXMM" == "x" || \
- "x$QMMM_GAMESS_MAXCLASS" == "x" || \
- "x$QMMM_GAMESS_MAXCTYP" == "x" || \
- "x$QMMM_GAMESS_MAXHESS" == "x" ]; 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"
@@ -77,7 +73,6 @@ pkg_setup() {
einfo "QMMM_GAMESS_MAXHESS"
einfo "in your make.conf"
ebeep 5
- fi
fi
#note about mpi
@@ -306,7 +301,7 @@ pkg_postinst() {
einfo "does multiprocessor runs and adjust rungms according to"
einfo "your target network architecture."
echo
-
+
if use qmmm-tinker; then
einfo "You may want to install sci-chemistry/tinker to use addition FF"
einfo "parameters for your qmmm calculations"