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authorMaho Nakata <maho@FreeBSD.org>2003-07-19 03:48:44 +0000
committerMaho Nakata <maho@FreeBSD.org>2003-07-19 03:48:44 +0000
commit3c2eb776a231e411e1f33187a985727e6dcfa32b (patch)
treeee7642b0a42b0f247dc275311416994cc841a4fd /biology
parent43801110c646ef25f3baa85796b629a83c545120 (diff)
downloadports-3c2eb776a231e411e1f33187a985727e6dcfa32b.tar.gz
ports-3c2eb776a231e411e1f33187a985727e6dcfa32b.zip
Notes
Diffstat (limited to 'biology')
-rw-r--r--biology/tinker/Makefile8
-rw-r--r--biology/tinker/files/patch-aa4
-rw-r--r--biology/tinker/files/patch-openend.f11
-rw-r--r--biology/tinker/pkg-plist4
-rw-r--r--biology/tinker/pkg-plist.viewer35
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