diff options
| author | asau <asau@pkgsrc.org> | 2011-03-23 05:36:29 +0000 |
|---|---|---|
| committer | asau <asau@pkgsrc.org> | 2011-03-23 05:36:29 +0000 |
| commit | 0d829ef819f7227aea67be8dca4f20fca62845a3 (patch) | |
| tree | 5206847b30362c14a19ab12595c4cdf3647d94fe /biology | |
| parent | e4656ea80459a2b751936e28ef2dbc67403d7a49 (diff) | |
| download | pkgsrc-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/Makefile | 4 | ||||
| -rw-r--r-- | biology/gromacs/PLIST | 3 | ||||
| -rw-r--r-- | biology/gromacs/distinfo | 8 |
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 |