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authorasau <asau@pkgsrc.org>2011-03-23 05:36:29 +0000
committerasau <asau@pkgsrc.org>2011-03-23 05:36:29 +0000
commit0d829ef819f7227aea67be8dca4f20fca62845a3 (patch)
tree5206847b30362c14a19ab12595c4cdf3647d94fe /biology
parente4656ea80459a2b751936e28ef2dbc67403d7a49 (diff)
downloadpkgsrc-0d829ef819f7227aea67be8dca4f20fca62845a3.tar.gz
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 (limited to 'biology')
-rw-r--r--biology/gromacs/Makefile4
-rw-r--r--biology/gromacs/PLIST3
-rw-r--r--biology/gromacs/distinfo8
3 files changed, 8 insertions, 7 deletions
diff --git a/biology/gromacs/Makefile b/biology/gromacs/Makefile
index 12475e615f8..a2a8099a92a 100644
--- a/biology/gromacs/Makefile
+++ b/biology/gromacs/Makefile
@@ -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 --git a/biology/gromacs/PLIST b/biology/gromacs/PLIST
index 3a9bc909276..1351f4b4616 100644
--- a/biology/gromacs/PLIST
+++ b/biology/gromacs/PLIST
@@ -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_msd
bin/g_nmeig
bin/g_nmens
bin/g_nmtraj
+bin/g_options
bin/g_order
bin/g_pme_error
bin/g_polystat
diff --git a/biology/gromacs/distinfo b/biology/gromacs/distinfo
index 828e063f5d7..e19cc90a948 100644
--- a/biology/gromacs/distinfo
+++ b/biology/gromacs/distinfo
@@ -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