diff options
Diffstat (limited to 'biology')
| -rw-r--r-- | biology/tinker/Makefile | 8 | ||||
| -rw-r--r-- | biology/tinker/files/patch-aa | 4 | ||||
| -rw-r--r-- | biology/tinker/files/patch-openend.f | 11 | ||||
| -rw-r--r-- | biology/tinker/pkg-plist | 4 | ||||
| -rw-r--r-- | biology/tinker/pkg-plist.viewer | 35 |
5 files changed, 42 insertions, 20 deletions
diff --git a/biology/tinker/Makefile b/biology/tinker/Makefile index fe25635b5bca..1ff1a6f3b76d 100644 --- a/biology/tinker/Makefile +++ b/biology/tinker/Makefile @@ -6,8 +6,7 @@ # PORTNAME= tinker -PORTVERSION= 3.9 -PORTREVISION= 1 +PORTVERSION= 4.0 CATEGORIES= biology MASTER_SITES= ftp://dasher.wustl.edu/pub/ DISTNAME= ${PORTNAME} @@ -25,11 +24,6 @@ INSTALL_TARGET= rename RESTRICTED= author requests no distribution except from his FTP site -pre-fetch: - @${ECHO_MSG} "" - @${ECHO_MSG} If you get a CHECKSUM mismatch, try doing a \'make distclean\' first. - @${ECHO_MSG} "" - .include <bsd.port.pre.mk> .if defined(WITH_VIEWER) diff --git a/biology/tinker/files/patch-aa b/biology/tinker/files/patch-aa index 0fc53910ba6b..6f83ecacd6dd 100644 --- a/biology/tinker/files/patch-aa +++ b/biology/tinker/files/patch-aa @@ -1,5 +1,5 @@ ---- ../make/Makefile.orig Tue Nov 13 10:16:27 2001 -+++ ../make/Makefile Mon Dec 31 15:33:40 2001 +--- ../make/Makefile.orig Wed Nov 14 01:16:27 2001 ++++ ../make/Makefile Sat Jul 19 12:22:51 2003 @@ -9,8 +9,8 @@ ## ## 1. make all Build all the TINKER executables diff --git a/biology/tinker/files/patch-openend.f b/biology/tinker/files/patch-openend.f new file mode 100644 index 000000000000..a34260872792 --- /dev/null +++ b/biology/tinker/files/patch-openend.f @@ -0,0 +1,11 @@ +--- openend.f.orig Tue Dec 18 12:28:54 2001 ++++ openend.f Sat Jul 19 12:30:57 2003 +@@ -33,7 +33,7 @@ + c + c common extension supported by many Fortran 77 compilers + c +-c open (unit=iunit,file=name,status='old',access='append') ++ open (unit=iunit,file=name,status='old',access='append') + c + c some Fortran 77 compilers open files for append by default + c diff --git a/biology/tinker/pkg-plist b/biology/tinker/pkg-plist index d84db098a538..ed19ce608489 100644 --- a/biology/tinker/pkg-plist +++ b/biology/tinker/pkg-plist @@ -13,8 +13,6 @@ bin/intedit bin/intxyz bin/minimize bin/minirot -bin/minrigid -bin/monte bin/newton bin/newtrot bin/nucleic @@ -45,6 +43,8 @@ bin/timerot bin/vibrate bin/vibrot bin/xtalfit +bin/vibrot +bin/xtalfit bin/xtalmin bin/xyzedit bin/xyzint diff --git a/biology/tinker/pkg-plist.viewer b/biology/tinker/pkg-plist.viewer index 98ee34b042da..f21859c26219 100644 --- a/biology/tinker/pkg-plist.viewer +++ b/biology/tinker/pkg-plist.viewer @@ -61,6 +61,8 @@ bin/xyzsybyl %%PORTDOCS%%share/doc/tinker/license.pdf %%PORTDOCS%%share/doc/tinker/license.ps %%PORTDOCS%%share/doc/tinker/license.txt +%%PORTDOCS%%share/doc/tinker/logo-bind.pdf +%%PORTDOCS%%share/doc/tinker/logo-bind.ps.gz %%PORTDOCS%%share/doc/tinker/logo.pdf %%PORTDOCS%%share/doc/tinker/logo.ps.gz %%PORTDOCS%%share/doc/tinker/release-3.2 @@ -68,6 +70,7 @@ bin/xyzsybyl %%PORTDOCS%%share/doc/tinker/release-3.7 %%PORTDOCS%%share/doc/tinker/release-3.8 %%PORTDOCS%%share/doc/tinker/release-3.9 +%%PORTDOCS%%share/doc/tinker/release-4.0 %%PORTDOCS%%share/doc/tinker/summary.pdf %%PORTDOCS%%share/doc/tinker/summary.ps %%PORTDOCS%%share/doc/tinker/summary.txt @@ -144,15 +147,21 @@ bin/xyzsybyl %%PORTDOCS%%share/tinker/bench/results-3.7 %%PORTDOCS%%share/tinker/bench/results-3.8 %%PORTDOCS%%share/tinker/bench/results-3.9 +%%PORTDOCS%%share/tinker/bench/results-4.0 share/tinker/params/README -share/tinker/params/amber.prm -share/tinker/params/charmm.prm +share/tinker/params/amber94.prm +share/tinker/params/amber96.prm +share/tinker/params/amber98.prm +share/tinker/params/amoeba.prm +share/tinker/params/charmm19.prm +share/tinker/params/charmm27.prm +share/tinker/params/dudek.prm share/tinker/params/hoch.prm share/tinker/params/mm2.prm share/tinker/params/mm3.prm share/tinker/params/mm3pro.prm -share/tinker/params/opls.prm share/tinker/params/oplsaa.prm +share/tinker/params/oplsua.prm share/tinker/params/smooth.prm share/tinker/params/smoothaa.prm share/tinker/params/water.prm @@ -162,6 +171,8 @@ share/tinker/rasmol/rasmol.hlp %%PORTDOCS%%share/tinker/test/ala20.xyz %%PORTDOCS%%share/tinker/test/alkane.key %%PORTDOCS%%share/tinker/test/alkane.xyz +%%PORTDOCS%%share/tinker/test/amoeba.key +%%PORTDOCS%%share/tinker/test/amoeba.xyz %%PORTDOCS%%share/tinker/test/arach.int %%PORTDOCS%%share/tinker/test/arach.key %%PORTDOCS%%share/tinker/test/arach.xyz @@ -227,7 +238,6 @@ share/tinker/rasmol/rasmol.hlp %%PORTDOCS%%share/tinker/test/crambin.key %%PORTDOCS%%share/tinker/test/crambin.pdb %%PORTDOCS%%share/tinker/test/crambin.seq -%%PORTDOCS%%share/tinker/test/crambin.super %%PORTDOCS%%share/tinker/test/crambin.xyz %%PORTDOCS%%share/tinker/test/crambinx.key %%PORTDOCS%%share/tinker/test/crambinx.ray @@ -253,9 +263,6 @@ share/tinker/rasmol/rasmol.hlp %%PORTDOCS%%share/tinker/test/diene.xyz %%PORTDOCS%%share/tinker/test/dimethane.key %%PORTDOCS%%share/tinker/test/dimethane.xyz -%%PORTDOCS%%share/tinker/test/diwater.key -%%PORTDOCS%%share/tinker/test/diwater.lin -%%PORTDOCS%%share/tinker/test/diwater.xyz %%PORTDOCS%%share/tinker/test/enkephalin.int %%PORTDOCS%%share/tinker/test/enkephalin.key %%PORTDOCS%%share/tinker/test/enkephalin.make @@ -290,6 +297,9 @@ share/tinker/rasmol/rasmol.hlp %%PORTDOCS%%share/tinker/test/furan.xyz %%PORTDOCS%%share/tinker/test/glucose.key %%PORTDOCS%%share/tinker/test/glucose.xyz +%%PORTDOCS%%share/tinker/test/glycerol.dyn +%%PORTDOCS%%share/tinker/test/glycerol.key +%%PORTDOCS%%share/tinker/test/glycerol.xyz %%PORTDOCS%%share/tinker/test/graphite.key %%PORTDOCS%%share/tinker/test/graphite.xyz %%PORTDOCS%%share/tinker/test/helix.dyn @@ -304,7 +314,6 @@ share/tinker/rasmol/rasmol.hlp %%PORTDOCS%%share/tinker/test/hexanes.key %%PORTDOCS%%share/tinker/test/hexanes.run %%PORTDOCS%%share/tinker/test/hexanes.xyz -%%PORTDOCS%%share/tinker/test/hexanex.xyz %%PORTDOCS%%share/tinker/test/imidazole.int %%PORTDOCS%%share/tinker/test/imidazole.key %%PORTDOCS%%share/tinker/test/imidazole.xyz @@ -362,6 +371,10 @@ share/tinker/rasmol/rasmol.hlp %%PORTDOCS%%share/tinker/test/peptide.xyz %%PORTDOCS%%share/tinker/test/phenanth.key %%PORTDOCS%%share/tinker/test/phenanth.xyz +%%PORTDOCS%%share/tinker/test/photo.key +%%PORTDOCS%%share/tinker/test/photo.pdb +%%PORTDOCS%%share/tinker/test/photo.seq +%%PORTDOCS%%share/tinker/test/photo.xyz %%PORTDOCS%%share/tinker/test/pol3.key %%PORTDOCS%%share/tinker/test/pol3.xyz %%PORTDOCS%%share/tinker/test/propane.key @@ -402,6 +415,10 @@ share/tinker/rasmol/rasmol.hlp %%PORTDOCS%%share/tinker/test/tip4p.xyz %%PORTDOCS%%share/tinker/test/tip5p.key %%PORTDOCS%%share/tinker/test/tip5p.xyz +%%PORTDOCS%%share/tinker/test/trpcage.key +%%PORTDOCS%%share/tinker/test/trpcage.pdb +%%PORTDOCS%%share/tinker/test/trpcage.seq +%%PORTDOCS%%share/tinker/test/trpcage.xyz %%PORTDOCS%%share/tinker/test/water.int %%PORTDOCS%%share/tinker/test/water.key %%PORTDOCS%%share/tinker/test/water.xyz @@ -428,7 +445,7 @@ share/tinker/tinker.txt %%PORTDOCS%%@dirrm share/doc/tinker %%PORTDOCS%%@dirrm share/examples/tinker %%PORTDOCS%%@dirrm share/tinker/bench -@dirrm share/tinker/params @dirrm share/tinker/rasmol +@dirrm share/tinker/params %%PORTDOCS%%@dirrm share/tinker/test @dirrm share/tinker |