Attachment 31530 Details for Bug 52498 – tinker-update

tinker-update

tinker-update (text/plain), 12.33 KB, created by gjohnson on 2003-05-20 22:30:05 UTC

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Creator: gjohnson

Created: 2003-05-20 22:30:05 UTC

Size: 12.33 KB

patch

obsolete

>diff -ruN biology/tinker.orig/Makefile biology/tinker/Makefile
>--- biology/tinker.orig/Makefile	Mon May 12 17:17:28 2003
>+++ biology/tinker/Makefile	Tue May 20 15:33:44 2003
>@@ -6,8 +6,7 @@
> #
> 
> PORTNAME=	tinker
>-PORTVERSION=	3.9
>-PORTREVISION=	1
>+PORTVERSION=	4.0
> CATEGORIES=	biology
> MASTER_SITES=	ftp://dasher.wustl.edu/pub/
> DISTNAME=	${PORTNAME}
>@@ -24,11 +23,6 @@
> INSTALL_TARGET=	rename
> 
> RESTRICTED=	author requests no distribution except from his FTP site
>-
>-pre-fetch:
>-	@${ECHO_MSG} ""
>-	@${ECHO_MSG} If you get a CHECKSUM mismatch, try doing a \'make distclean\' first.
>-	@${ECHO_MSG} ""
> 
> .include <bsd.port.pre.mk>
> 
>diff -ruN biology/tinker.orig/distinfo biology/tinker/distinfo
>--- biology/tinker.orig/distinfo	Mon May 12 17:17:28 2003
>+++ biology/tinker/distinfo	Tue May 20 13:35:42 2003
>@@ -1 +1 @@
>-MD5 (tinker.tar.gz) = e6f34c61cc40f107fbbcf4b0c7dae5a5
>+MD5 (tinker.tar.gz) = 571224cc0de71099b59de74b3dca648d
>diff -ruN biology/tinker.orig/files/patch-aa biology/tinker/files/patch-aa
>--- biology/tinker.orig/files/patch-aa	Mon May 12 17:17:28 2003
>+++ biology/tinker/files/patch-aa	Tue May 20 13:53:53 2003
>@@ -1,5 +1,8 @@
>---- ../make/Makefile.orig	Tue Nov 13 10:16:27 2001
>-+++ ../make/Makefile	Mon Dec 31 15:33:40 2001
>+
>+$FreeBSD$
>+
>+--- ../make/Makefile.orig	Fri Apr 18 13:32:36 2003
>++++ ../make/Makefile	Tue May 20 13:48:01 2003
> @@ -9,8 +9,8 @@
>  ##
>  ##   1. make all              Build all the TINKER executables
>@@ -24,26 +27,26 @@
>  
>  ####################################################################
>  ##  Known Machine Types; Uncomment One of the Following Sections  ##
>-@@ -87,12 +87,12 @@
>- ##  Compiler: GNU g77
>+@@ -101,12 +101,12 @@
>+ ##  Compiler: Intel Fortran
>  ##
>  
>--F77 = /usr/bin/g77
>+-F77 = /usr/intel/compiler70/ia32/bin/ifc
> -LIBS =
> -F77FLAGS = -c
>--OPTFLAGS = -O3 -ffast-math
>+-OPTFLAGS = -O2 -cm -w
> -LIBFLAGS = -crusv
>--LINKFLAGS =
>-+#F77 = /usr/bin/g77
>+-LINKFLAGS = -Vaxlib
>++#F77 = /usr/intel/compiler70/ia32/bin/ifc
> +#LIBS =
> +#F77FLAGS = -c
>-+#OPTFLAGS = -O3 -ffast-math
>++#OPTFLAGS = -O2 -cm -w
> +#LIBFLAGS = -crusv
>-+#LINKFLAGS =
>++#LINKFLAGS = -Vaxlib
>  
>  ##
>  ##  Machine:  IntelPC / Linux
>-@@ -108,6 +108,24 @@
>+@@ -122,6 +122,24 @@
>  #LIBFLAGS = -crusv
>  #LINKFLAGS =
>  
>@@ -68,7 +71,7 @@
>  #################################################################
>  ##  Should not be Necessary to Change Things Below this Point  ##
>  #################################################################
>-@@ -497,11 +515,13 @@
>+@@ -522,11 +540,13 @@
>             xyzpdb.x \
>             xyzsybyl.x
>  
>@@ -84,7 +87,7 @@
>  
>  all:	${EXEFILES}
>  
>-@@ -512,58 +532,58 @@
>+@@ -537,58 +557,58 @@
>  	cat *.i *.f > tinker.txt
>  
>  rename:
>diff -ruN biology/tinker.orig/files/patch-openend.f biology/tinker/files/patch-openend.f
>--- biology/tinker.orig/files/patch-openend.f	Wed Dec 31 18:00:00 1969
>+++ biology/tinker/files/patch-openend.f	Tue May 20 14:30:20 2003
>@@ -0,0 +1,19 @@
>+
>+$FreeBSD$
>+
>+--- openend.f.orig	Tue May 20 14:29:37 2003
>++++ openend.f	Tue May 20 14:29:50 2003
>+@@ -29,11 +29,11 @@
>+ c
>+ c     standard Fortran 90, unavailable in some Fortran 77 compilers
>+ c
>+-      open (unit=iunit,file=name,status='old',position='append')
>++c     open (unit=iunit,file=name,status='old',position='append')
>+ 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 -ruN biology/tinker.orig/pkg-plist biology/tinker/pkg-plist
>--- biology/tinker.orig/pkg-plist	Mon May 12 17:17:28 2003
>+++ biology/tinker/pkg-plist	Tue May 20 15:28:55 2003
>@@ -57,6 +57,8 @@
> %%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
>@@ -64,6 +66,7 @@
> %%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
>@@ -140,15 +143,21 @@
> %%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
>@@ -157,6 +166,8 @@
> %%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
>@@ -222,7 +233,6 @@
> %%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
>@@ -248,9 +258,6 @@
> %%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
>@@ -285,6 +292,9 @@
> %%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
>@@ -299,7 +309,6 @@
> %%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
>@@ -357,6 +366,10 @@
> %%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
>@@ -397,6 +410,10 @@
> %%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
>diff -ruN biology/tinker.orig/pkg-plist.viewer biology/tinker/pkg-plist.viewer
>--- biology/tinker.orig/pkg-plist.viewer	Mon May 12 17:17:28 2003
>+++ biology/tinker/pkg-plist.viewer	Tue May 20 15:28:40 2003
>@@ -61,6 +61,8 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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

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Attachments on bug 52498: 31530