diff options
| author | asau <asau@pkgsrc.org> | 2010-11-23 19:43:58 +0000 |
|---|---|---|
| committer | asau <asau@pkgsrc.org> | 2010-11-23 19:43:58 +0000 |
| commit | 716df87571470f90fd76247f39f2b9e7bcab68aa (patch) | |
| tree | c0c2d84e34b12aff85c8fcbc550c504a1dc45e3b /biology | |
| parent | 3319fa9aad16a98341032bb842f6293c90c56131 (diff) | |
| download | pkgsrc-716df87571470f90fd76247f39f2b9e7bcab68aa.tar.gz | |
Update to Gromacs 4.5.3
This is maintainance release, it fixes:
* Double precision energy file reading
* CHARMM and GB issues
* Support for Altivec (PowerPC) with CMake
* Running binaries within the CMake build tree is now possible
* Various other issues
Diffstat (limited to 'biology')
| -rw-r--r-- | biology/gromacs/Makefile | 11 | ||||
| -rw-r--r-- | biology/gromacs/PLIST | 13 | ||||
| -rw-r--r-- | biology/gromacs/distinfo | 8 |
3 files changed, 18 insertions, 14 deletions
diff --git a/biology/gromacs/Makefile b/biology/gromacs/Makefile index e00269419a1..12475e615f8 100644 --- a/biology/gromacs/Makefile +++ b/biology/gromacs/Makefile @@ -1,8 +1,7 @@ -# $NetBSD: Makefile,v 1.5 2010/10/21 12:03:57 asau Exp $ +# $NetBSD: Makefile,v 1.6 2010/11/23 19:43:58 asau Exp $ # -DISTNAME= gromacs-4.5.1 -PKGNAME= $(DISTNAME:=.1) +DISTNAME= gromacs-4.5.3 CATEGORIES= biology MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/ @@ -13,12 +12,6 @@ LICENSE= gnu-gpl-v2 PKG_DESTDIR_SUPPORT= user-destdir -# GROMACS team released another version a day after: -# 4.5.1-20100902-2d7e855 vs. -# 4.5.1-20100903-d982058 -# call it 4.5.1.1 -DIST_SUBDIR= gromacs-4.5.1.1 - # Official recommendation is not to use the gcc 4.1.x set of compilers. GNU_CONFIGURE= yes diff --git a/biology/gromacs/PLIST b/biology/gromacs/PLIST index e7cf07e5297..3a9bc909276 100644 --- a/biology/gromacs/PLIST +++ b/biology/gromacs/PLIST @@ -1,4 +1,4 @@ -@comment $NetBSD: PLIST,v 1.4 2010/10/21 12:03:57 asau Exp $ +@comment $NetBSD: PLIST,v 1.5 2010/11/23 19:43:58 asau Exp $ bin/GMXRC bin/GMXRC.bash bin/GMXRC.csh @@ -39,6 +39,7 @@ bin/g_h2order bin/g_hbond bin/g_helix bin/g_helixorient +bin/g_kinetics bin/g_lie bin/g_luck bin/g_mdmat @@ -781,6 +782,10 @@ share/gromacs/top/charmm27.ff/aminoacids.rtp share/gromacs/top/charmm27.ff/aminoacids.vsd share/gromacs/top/charmm27.ff/atomtypes.atp share/gromacs/top/charmm27.ff/cmap.itp +share/gromacs/top/charmm27.ff/dna.arn +share/gromacs/top/charmm27.ff/dna.c.tdb +share/gromacs/top/charmm27.ff/dna.hdb +share/gromacs/top/charmm27.ff/dna.n.tdb share/gromacs/top/charmm27.ff/dna.rtp share/gromacs/top/charmm27.ff/ffbonded.itp share/gromacs/top/charmm27.ff/ffnabonded.itp @@ -792,11 +797,17 @@ share/gromacs/top/charmm27.ff/gb.itp share/gromacs/top/charmm27.ff/ions.itp share/gromacs/top/charmm27.ff/lipids.hdb share/gromacs/top/charmm27.ff/lipids.rtp +share/gromacs/top/charmm27.ff/rna.arn +share/gromacs/top/charmm27.ff/rna.c.tdb +share/gromacs/top/charmm27.ff/rna.hdb +share/gromacs/top/charmm27.ff/rna.n.tdb +share/gromacs/top/charmm27.ff/rna.r2b share/gromacs/top/charmm27.ff/rna.rtp share/gromacs/top/charmm27.ff/spc.itp share/gromacs/top/charmm27.ff/spce.itp share/gromacs/top/charmm27.ff/tip3p.itp share/gromacs/top/charmm27.ff/tip4p.itp +share/gromacs/top/charmm27.ff/tip5p.itp share/gromacs/top/charmm27.ff/tips3p.itp share/gromacs/top/charmm27.ff/watermodels.dat share/gromacs/top/co-shift.dat diff --git a/biology/gromacs/distinfo b/biology/gromacs/distinfo index fcb7ce69201..828e063f5d7 100644 --- a/biology/gromacs/distinfo +++ b/biology/gromacs/distinfo @@ -1,8 +1,8 @@ -$NetBSD: distinfo,v 1.6 2010/10/21 12:03:57 asau Exp $ +$NetBSD: distinfo,v 1.7 2010/11/23 19:43:58 asau Exp $ -SHA1 (gromacs-4.5.1.1/gromacs-4.5.1.tar.gz) = cbe52c3ec613fe8b652cd24b86c4fdf31b58c71b -RMD160 (gromacs-4.5.1.1/gromacs-4.5.1.tar.gz) = 116ca5bc4644d1460086cfb2097961abd11db63b -Size (gromacs-4.5.1.1/gromacs-4.5.1.tar.gz) = 10304547 bytes +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 (patch-aa) = 29c6683c71989621f0f41682b1c225f524a2d84f SHA1 (patch-ad) = 68b37154ba466e28cad0e539e25253c901421aaa SHA1 (patch-ae) = 59a5e88abeee883483b557cab1681c9a9098870f |