[pkgsrc/trunk]: pkgsrc/biology/gromacs Update to Gromacs 4.5.4:

[asau <asau%pkgsrc.org@localhost>]

details:   https://anonhg.NetBSD.org/pkgsrc/rev/38a0433acd24
branches:  trunk
changeset: 586885:38a0433acd24
user:      asau <asau%pkgsrc.org@localhost>
date:      Wed Mar 23 05:36:29 2011 +0000

description:
Update to Gromacs 4.5.4:

* Fixed pdb2gmx picking up force field from local instead of
library directory
* Made pdb2gmx vsite generation work again for certain His namings.
* Fixed incorrect virial and pressure averages with certain
nst... values (instantaneous values correct)
* Fixed incorrect cosine viscosity output
* New -multidir alternative for mdrun -multi option
* Several minor fixes in analysis tools
* Several updates to the program documentation

diffstat:

 biology/gromacs/Makefile |  4 ++--
 biology/gromacs/PLIST    |  3 ++-
 biology/gromacs/distinfo |  8 ++++----
 3 files changed, 8 insertions(+), 7 deletions(-)

diffs (46 lines):

diff -r 30944d89d31b -r 38a0433acd24 biology/gromacs/Makefile
--- a/biology/gromacs/Makefile  Wed Mar 23 05:33:58 2011 +0000
+++ b/biology/gromacs/Makefile  Wed Mar 23 05:36:29 2011 +0000
@@ -1,7 +1,7 @@
-# $NetBSD: Makefile,v 1.6 2010/11/23 19:43:58 asau Exp $
+# $NetBSD: Makefile,v 1.7 2011/03/23 05:36:29 asau Exp $
 #
 
-DISTNAME=              gromacs-4.5.3
+DISTNAME=              gromacs-4.5.4
 CATEGORIES=            biology
 MASTER_SITES=          ftp://ftp.gromacs.org/pub/gromacs/
 
diff -r 30944d89d31b -r 38a0433acd24 biology/gromacs/PLIST
--- a/biology/gromacs/PLIST     Wed Mar 23 05:33:58 2011 +0000
+++ b/biology/gromacs/PLIST     Wed Mar 23 05:36:29 2011 +0000
@@ -1,4 +1,4 @@
-@comment $NetBSD: PLIST,v 1.5 2010/11/23 19:43:58 asau Exp $
+@comment $NetBSD: PLIST,v 1.6 2011/03/23 05:36:29 asau Exp $
 bin/GMXRC
 bin/GMXRC.bash
 bin/GMXRC.csh
@@ -50,6 +50,7 @@
 bin/g_nmeig
 bin/g_nmens
 bin/g_nmtraj
+bin/g_options
 bin/g_order
 bin/g_pme_error
 bin/g_polystat
diff -r 30944d89d31b -r 38a0433acd24 biology/gromacs/distinfo
--- a/biology/gromacs/distinfo  Wed Mar 23 05:33:58 2011 +0000
+++ b/biology/gromacs/distinfo  Wed Mar 23 05:36:29 2011 +0000
@@ -1,8 +1,8 @@
-$NetBSD: distinfo,v 1.7 2010/11/23 19:43:58 asau Exp $
+$NetBSD: distinfo,v 1.8 2011/03/23 05:36:29 asau Exp $
 
-SHA1 (gromacs-4.5.3.tar.gz) = c4845e5e62d1f53ee443301dad00138feba6d275
-RMD160 (gromacs-4.5.3.tar.gz) = 2bb9cab3c611b93c4323e16b0d171c16cd407bf1
-Size (gromacs-4.5.3.tar.gz) = 10338471 bytes
+SHA1 (gromacs-4.5.4.tar.gz) = c7b3fbd2f3ddf915bc082e7effe76a8276563726
+RMD160 (gromacs-4.5.4.tar.gz) = 96065d1a173231f75869764a08eb4feccc1ec597
+Size (gromacs-4.5.4.tar.gz) = 10353984 bytes
 SHA1 (patch-aa) = 29c6683c71989621f0f41682b1c225f524a2d84f
 SHA1 (patch-ad) = 68b37154ba466e28cad0e539e25253c901421aaa
 SHA1 (patch-ae) = 59a5e88abeee883483b557cab1681c9a9098870f