Date: Sat, 19 Jun 1999 22:13:16 -0500 (CDT) From: gljohns@bellsouth.net To: FreeBSD-gnats-submit@freebsd.org Subject: ports/12301: Update of Tinker Message-ID: <199906200313.WAA75960@gforce.johnson.home>
next in thread | raw e-mail | index | archive | help
>Number: 12301
>Category: ports
>Synopsis: Update of biology/tinker from 3.6 to 3.7
>Confidential: no
>Severity: serious
>Priority: medium
>Responsible: freebsd-ports
>State: open
>Quarter:
>Keywords:
>Date-Required:
>Class: change-request
>Submitter-Id: current-users
>Arrival-Date: Sat Jun 19 20:20:00 PDT 1999
>Closed-Date:
>Last-Modified:
>Originator: Glenn Johnson
>Release: FreeBSD 3.2-STABLE i386
>Organization:
>Environment:
I have tested this with f77 in FreeBSD-3.2 and g77 from the EGCS port.
>Description:
This updates biology/tinker from version 3.6 to version 3.7
>How-To-Repeat:
>Fix:
Apply the enclosed diff to $PORTS/biology/tinker, and remove the
resulting *.orig files.
diff -ruN tinker.old/Makefile tinker/Makefile
--- tinker.old/Makefile Fri Jun 18 21:54:27 1999
+++ tinker/Makefile Sat Jun 19 21:53:34 1999
@@ -1,5 +1,5 @@
# New ports collection makefile for: tinker
-# Version required: 3.6
+# Version required: 3.7
# Date Created: 26 August 1998
# Whom: Glenn Johnson
#
@@ -7,7 +7,7 @@
#
DISTNAME= tinker
-PKGNAME= tinker-3.6
+PKGNAME= tinker-3.7
CATEGORIES= biology
MASTER_SITES= ftp://dasher.wustl.edu/pub/
@@ -18,10 +18,13 @@
.if ${OSVERSION} < 400005
LIB_DEPENDS= U77:${PORTSDIR}/devel/libU77
-# If you have EGCS installed and wish to use it, do the following:
+# If you wish to use g77 from EGCS, do the following:
# a) comment out the LIB_DEPENDS line above and uncomment the following line
-#BUILD_DEPENDS= g77:${PORTSDIR}/lang/egcs
-# b) set env variable 'FC' to 'g77' before running `make'
+
+# BUILD_DEPENDS= g77:${PORTSDIR}/lang/egcs
+
+# b) set env variable 'FC' to 'g77' before running `make'; or 'make FC=g77'
+
.else
MAKE_ENV+= HAVE_G2C=yes
.endif
@@ -35,11 +38,12 @@
RESTRICTED= author requests no distribution except from his FTP site
post-install:
+ ${MKDIR} ${PREFIX}/share/tinker
${MKDIR} ${PREFIX}/share/tinker/params
- ${INSTALL_DATA} ${WRKDIR}/tinker/params/* \
-${PREFIX}/share/tinker/params
${INSTALL_DATA} ${WRKDIR}/tinker/source/tinker.txt \
${PREFIX}/share/tinker
+ ${INSTALL_DATA} ${WRKDIR}/tinker/params/* \
+${PREFIX}/share/tinker/params
.if !defined(NOPORTDOCS)
${MKDIR} ${PREFIX}/share/tinker/doc
${MKDIR} ${PREFIX}/share/tinker/example
@@ -47,6 +51,8 @@
${MKDIR} ${PREFIX}/share/tinker/test
${INSTALL_DATA} ${WRKDIR}/tinker/doc/README \
${PREFIX}/share/tinker/doc
+ ${INSTALL_DATA} ${WRKDIR}/tinker/doc/*.pdf \
+${PREFIX}/share/tinker/doc
${INSTALL_DATA} ${WRKDIR}/tinker/doc/*.ps \
${PREFIX}/share/tinker/doc
${INSTALL_DATA} ${WRKDIR}/tinker/doc/*.Z \
@@ -96,7 +102,7 @@
@${ECHO} ""
@${ECHO} " **********************************************************"
@${ECHO} " The author requests that you return a license form "
- @${ECHO} " to him if you find Tinker to be useful. "
+ @${ECHO} " to him if you find Tinker to be useful. "
@${ECHO} " "
@${ECHO} " See ${PREFIX}/share/tinker/doc for license forms. "
@${ECHO} " **********************************************************"
diff -ruN tinker.old/README.html tinker/README.html
--- tinker.old/README.html Fri Jun 18 21:54:27 1999
+++ tinker/README.html Sat Jun 19 21:50:10 1999
@@ -3,7 +3,7 @@
<head><h1> The FreeBSD Ports Collection ("biology/tinker")</h1> </head> <hr>
<body>
-<p>You are now in the directory for the port "biology/tinker" (package name "tinker-3.6").
+<p>You are now in the directory for the port "biology/tinker" (package name "tinker-3.7").
<p>This is the one-line description for this port:
@@ -18,9 +18,9 @@
a summary on how to use the ports collection.
<p>
-This port requires package(s) "libU77-2.6" to build.
+This port requires package(s) "" to build.
<p>
-This port requires package(s) "libU77-2.6" to run.
+This port requires package(s) "" to run.
<p><hr><p>
<a href="../README.html"> Go up one level</a>
diff -ruN tinker.old/files/md5 tinker/files/md5
--- tinker.old/files/md5 Fri Jun 18 21:54:27 1999
+++ tinker/files/md5 Sat Jun 19 21:50:10 1999
@@ -1 +1 @@
-MD5 (tinker.tar.gz) = 9b21715ee725eddbcd750a1d0f5836b4
+MD5 (tinker.tar.gz) = 00a14152f016a0e2f0abc1e459d1a792
diff -ruN tinker.old/patches/patch-aa tinker/patches/patch-aa
--- tinker.old/patches/patch-aa Fri Jun 18 21:54:27 1999
+++ tinker/patches/patch-aa Sat Jun 19 21:50:10 1999
@@ -1,225 +1,191 @@
-*** ../make/Makefile.orig Sat Apr 11 11:38:14 1998
---- ../make/Makefile Sat May 22 15:08:09 1999
-***************
-*** 9,16 ****
- ##
- ## 1. make all Build all the TINKER executables
- ## 2. make rename Move the executables to BINDIR
-! ## 3. make remove_links Create soft links in LINKDIR
-! ## 4. make create_links Remove soft links from LINKDIR
- ## 6. make listing Concatenate source to tinker.txt
- ## 5. make clean Delete objects and executables
- ##
---- 9,16 ----
- ##
- ## 1. make all Build all the TINKER executables
- ## 2. make rename Move the executables to BINDIR
-! ## 3. make remove_links Remove soft links in LINKDIR
-! ## 4. make create_links Create soft links from LINKDIR
- ## 6. make listing Concatenate source to tinker.txt
- ## 5. make clean Delete objects and executables
- ##
-***************
-*** 30,38 ****
- ## LINKDIR Linked Copies of TINKER Executables
- ##
-
-! TINKERDIR = /user/ponder/tinker
-! BINDIR = $(TINKERDIR)/bin
-! LINKDIR = /usr/local/bin
-
- ####################################################################
- ## Known Machine Types; Uncomment One of the Following Sections ##
---- 30,38 ----
- ## LINKDIR Linked Copies of TINKER Executables
- ##
-
-! TINKERDIR = ${WRKDIR}
-! BINDIR = ${PREFIX}/bin
-! #LINKDIR = /usr/local/bin
-
- ####################################################################
- ## Known Machine Types; Uncomment One of the Following Sections ##
-***************
-*** 45,57 ****
- ## Compiler: DEC Fortran 77/90, V4.1
- ##
-
-! F77 = /usr/bin/f77
-! RM = /sbin/rm
-! LIBS =
-! F77FLAGS = -c
-! OPTFLAGS = -fast -tune host
-! LIBFLAGS = -rlv
-! LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
-
- ##
- ## Machine: Silicon Graphics
---- 45,57 ----
- ## Compiler: DEC Fortran 77/90, V4.1
- ##
-
-! #F77 = /usr/bin/f77
-! #RM = /sbin/rm
-! #LIBS =
-! #F77FLAGS = -c
-! #OPTFLAGS = -fast -tune host
-! #LIBFLAGS = -rlv
-! #LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
-
- ##
- ## Machine: Silicon Graphics
-***************
-*** 104,109 ****
---- 104,141 ----
- #diagq.o:
- # ${F77} ${F77FLAGS} -ffast-math diagq.f
-
-+ ##
-+ ## Machine: IntelPC
-+ ## CPU Type: Pentium Pro
-+ ## Oper Sys: FreeBSD 3.0
-+ ## Compiler: f77(f2c/gcc version 2.7.2.1) || egcs g77
-+ ##
-+
-+ F77 = ${FC}
-+ RM = /bin/rm
-+
-+ .if ${FC}==f77
-+ .if !defined(HAVE_G2C)
-+ LIBS = -lU77
-+ .else
-+ LIBS = -lg2c
-+ .endif
-+ F77FLAGS = -NL400 -c
-+ LINKFLAGS = -L${PREFIX}/lib
-+ .elseif ${FC}==g77
-+ LIBS=
-+ F77FLAGS = -Wno-globals -fno-globals -c
-+ LINKFLAGS =
-+ .endif
-+
-+ OPTFLAGS = ${FFLAGS} -ffast-math
-+ .if ${MACHINE_ARCH} == "i386"
-+ OPTFLAGS+= -malign-double
-+ .endif
-+ LIBFLAGS = -rcuv
-+ diagq.o:
-+ ${F77} ${F77FLAGS} -ffast-math diagq.f
-+
- #################################################################
- ## Should not be Necessary to Change Things Below this Point ##
- #################################################################
-***************
-*** 766,771 ****
---- 798,804 ----
- volume2.o \
- writeout.o \
- xyzatm.o
-+ ranlib libtinker.a
-
- alchemy.x:
- ${F77} ${LINKFLAGS} -o alchemy.x alchemy.o libtinker.a ${LIBS}
-***************
-*** 857,906 ****
- ${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS}
-
- rename:
-! mv alchemy.x $(BINDIR)/alchemy
-! mv analyze.x $(BINDIR)/analyze
-! mv anneal.x $(BINDIR)/anneal
-! mv archive.x $(BINDIR)/archive
-! mv correlate.x $(BINDIR)/correlate
-! mv crystal.x $(BINDIR)/crystal
-! mv distgeom.x $(BINDIR)/distgeom
-! mv document.x $(BINDIR)/document
-! mv dynamic.x $(BINDIR)/dynamic
-! mv gda.x $(BINDIR)/gda
-! mv intedit.x $(BINDIR)/intedit
-! mv intxyz.x $(BINDIR)/intxyz
-! mv minimize.x $(BINDIR)/minimize
-! mv minirot.x $(BINDIR)/minirot
-! mv newton.x $(BINDIR)/newton
-! mv newtrot.x $(BINDIR)/newtrot
-! mv optimize.x $(BINDIR)/optimize
-! mv optirot.x $(BINDIR)/optirot
-! mv optrigid.x $(BINDIR)/optrigid
-! mv path.x $(BINDIR)/path
-! mv pdbxyz.x $(BINDIR)/pdbxyz
-! mv protein.x $(BINDIR)/protein
-! mv pss.x $(BINDIR)/pss
-! mv pssrigid.x $(BINDIR)/pssrigid
-! mv pssrot.x $(BINDIR)/pssrot
-! mv saddle.x $(BINDIR)/saddle
-! mv sniffer.x $(BINDIR)/sniffer
-! mv spacefill.x $(BINDIR)/spacefill
-! mv superpose.x $(BINDIR)/superpose
-! mv sybylxyz.x $(BINDIR)/sybylxyz
-! mv testgrad.x $(BINDIR)/testgrad
-! mv testhess.x $(BINDIR)/testhess
-! mv testlight.x $(BINDIR)/testlight
-! mv testrot.x $(BINDIR)/testrot
-! mv timer.x $(BINDIR)/timer
-! mv timerot.x $(BINDIR)/timerot
-! mv vibrate.x $(BINDIR)/vibrate
-! mv vibrot.x $(BINDIR)/vibrot
-! mv xtalfit.x $(BINDIR)/xtalfit
-! mv xtalmin.x $(BINDIR)/xtalmin
-! mv xyzedit.x $(BINDIR)/xyzedit
-! mv xyzint.x $(BINDIR)/xyzint
-! mv xyzpdb.x $(BINDIR)/xyzpdb
-! mv xyzsybyl.x $(BINDIR)/xyzsybyl
-
- remove_links:
- rm -f $(LINKDIR)/alchemy
---- 890,939 ----
- ${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS}
-
- rename:
-! ${INSTALL} -s alchemy.x $(BINDIR)/alchemy
-! ${INSTALL} -s analyze.x $(BINDIR)/analyze
-! ${INSTALL} -s anneal.x $(BINDIR)/anneal
-! ${INSTALL} -s archive.x $(BINDIR)/archive
-! ${INSTALL} -s correlate.x $(BINDIR)/correlate
-! ${INSTALL} -s crystal.x $(BINDIR)/crystal
-! ${INSTALL} -s distgeom.x $(BINDIR)/distgeom
-! ${INSTALL} -s document.x $(BINDIR)/document
-! ${INSTALL} -s dynamic.x $(BINDIR)/dynamic
-! ${INSTALL} -s gda.x $(BINDIR)/gda
-! ${INSTALL} -s intedit.x $(BINDIR)/intedit
-! ${INSTALL} -s intxyz.x $(BINDIR)/intxyz
-! ${INSTALL} -s minimize.x $(BINDIR)/minimize
-! ${INSTALL} -s minirot.x $(BINDIR)/minirot
-! ${INSTALL} -s newton.x $(BINDIR)/newton
-! ${INSTALL} -s newtrot.x $(BINDIR)/newtrot
-! ${INSTALL} -s optimize.x $(BINDIR)/optimize
-! ${INSTALL} -s optirot.x $(BINDIR)/optirot
-! ${INSTALL} -s optrigid.x $(BINDIR)/optrigid
-! ${INSTALL} -s path.x $(BINDIR)/path
-! ${INSTALL} -s pdbxyz.x $(BINDIR)/pdbxyz
-! ${INSTALL} -s protein.x $(BINDIR)/protein
-! ${INSTALL} -s pss.x $(BINDIR)/pss
-! ${INSTALL} -s pssrigid.x $(BINDIR)/pssrigid
-! ${INSTALL} -s pssrot.x $(BINDIR)/pssrot
-! ${INSTALL} -s saddle.x $(BINDIR)/saddle
-! ${INSTALL} -s sniffer.x $(BINDIR)/sniffer
-! ${INSTALL} -s spacefill.x $(BINDIR)/spacefill
-! ${INSTALL} -s superpose.x $(BINDIR)/superpose
-! ${INSTALL} -s sybylxyz.x $(BINDIR)/sybylxyz
-! ${INSTALL} -s testgrad.x $(BINDIR)/testgrad
-! ${INSTALL} -s testhess.x $(BINDIR)/testhess
-! ${INSTALL} -s testlight.x $(BINDIR)/testlight
-! ${INSTALL} -s testrot.x $(BINDIR)/testrot
-! ${INSTALL} -s timer.x $(BINDIR)/timer
-! ${INSTALL} -s timerot.x $(BINDIR)/timerot
-! ${INSTALL} -s vibrate.x $(BINDIR)/vibrate
-! ${INSTALL} -s vibrot.x $(BINDIR)/vibrot
-! ${INSTALL} -s xtalfit.x $(BINDIR)/xtalfit
-! ${INSTALL} -s xtalmin.x $(BINDIR)/xtalmin
-! ${INSTALL} -s xyzedit.x $(BINDIR)/xyzedit
-! ${INSTALL} -s xyzint.x $(BINDIR)/xyzint
-! ${INSTALL} -s xyzpdb.x $(BINDIR)/xyzpdb
-! ${INSTALL} -s xyzsybyl.x $(BINDIR)/xyzsybyl
-
- remove_links:
- rm -f $(LINKDIR)/alchemy
+--- ../make/Makefile.orig Mon Jun 14 10:23:04 1999
++++ ../make/Makefile Sat Jun 19 14:15:27 1999
+@@ -9,8 +9,8 @@
+ ##
+ ## 1. make all Build all the TINKER executables
+ ## 2. make rename Move the executables to BINDIR
+-## 3. make remove_links Create soft links in LINKDIR
+-## 4. make create_links Remove soft links from LINKDIR
++## 3. make remove_links Remove soft links in LINKDIR
++## 4. make create_links Create soft links from LINKDIR
+ ## 6. make listing Concatenate source to tinker.txt
+ ## 5. make clean Delete objects and executables
+ ##
+@@ -30,9 +30,9 @@
+ ## LINKDIR Linked Copies of TINKER Executables
+ ##
+
+-TINKERDIR = /user/ponder/tinker
+-BINDIR = $(TINKERDIR)/bin
+-LINKDIR = /usr/local/bin
++TINKERDIR = ${WRKDIR}
++BINDIR = ${PREFIX}/bin
++#LINKDIR = /usr/local/bin
+
+ ####################################################################
+ ## Known Machine Types; Uncomment One of the Following Sections ##
+@@ -45,13 +45,13 @@
+ ## Compiler: DEC Fortran 77/90, V4.1
+ ##
+
+-F77 = /usr/bin/f77
+-RM = /sbin/rm
+-LIBS =
+-F77FLAGS = -c
+-OPTFLAGS = -fast -tune host
+-LIBFLAGS = -rlv
+-LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
++#F77 = /usr/bin/f77
++#RM = /sbin/rm
++#LIBS =
++#F77FLAGS = -c
++#OPTFLAGS = -fast -tune host
++#LIBFLAGS = -rlv
++#LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
+
+ ##
+ ## Machine: Silicon Graphics
+@@ -104,6 +104,38 @@
+ #diagq.o:
+ # ${F77} ${F77FLAGS} -ffast-math diagq.f
+
++##
++## Machine: IntelPC
++## CPU Type: Pentium Pro
++## Oper Sys: FreeBSD 3.0
++## Compiler: f77(f2c/gcc version 2.7.2.1) || egcs g77
++##
++
++F77 = ${FC}
++RM = /bin/rm
++
++.if ${FC}==f77
++.if !defined(HAVE_G2C)
++LIBS = -lU77
++.else
++LIBS = -lg2c
++.endif
++F77FLAGS = -NL400 -c
++LINKFLAGS = -L${PREFIX}/lib
++.elseif ${FC}==g77
++LIBS=
++F77FLAGS = -Wno-globals -fno-globals -c
++LINKFLAGS =
++.endif
++
++OPTFLAGS = ${FFLAGS} -ffast-math
++.if ${MACHINE_ARCH} == "i386"
++OPTFLAGS+= -malign-double
++.endif
++LIBFLAGS = -rcuv
++diagq.o:
++ ${F77} ${F77FLAGS} -ffast-math diagq.f
++
+ #################################################################
+ ## Should not be Necessary to Change Things Below this Point ##
+ #################################################################
+@@ -765,6 +797,7 @@
+ volume2.o \
+ writeout.o \
+ xyzatm.o
++ ranlib libtinker.a
+
+ alchemy.x:
+ ${F77} ${LINKFLAGS} -o alchemy.x alchemy.o libtinker.a ${LIBS}
+@@ -858,51 +891,51 @@
+ ${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS}
+
+ rename:
+- mv alchemy.x $(BINDIR)/alchemy
+- mv analyze.x $(BINDIR)/analyze
+- mv anneal.x $(BINDIR)/anneal
+- mv archive.x $(BINDIR)/archive
+- mv correlate.x $(BINDIR)/correlate
+- mv crystal.x $(BINDIR)/crystal
+- mv distgeom.x $(BINDIR)/distgeom
+- mv document.x $(BINDIR)/document
+- mv dynamic.x $(BINDIR)/dynamic
+- mv gda.x $(BINDIR)/gda
+- mv intedit.x $(BINDIR)/intedit
+- mv intxyz.x $(BINDIR)/intxyz
+- mv minimize.x $(BINDIR)/minimize
+- mv minirot.x $(BINDIR)/minirot
+- mv newton.x $(BINDIR)/newton
+- mv newtrot.x $(BINDIR)/newtrot
+- mv optimize.x $(BINDIR)/optimize
+- mv optirot.x $(BINDIR)/optirot
+- mv optrigid.x $(BINDIR)/optrigid
+- mv path.x $(BINDIR)/path
+- mv pdbxyz.x $(BINDIR)/pdbxyz
+- mv protein.x $(BINDIR)/protein
+- mv pss.x $(BINDIR)/pss
+- mv pssrigid.x $(BINDIR)/pssrigid
+- mv pssrot.x $(BINDIR)/pssrot
+- mv saddle.x $(BINDIR)/saddle
+- mv scan.x $(BINDIR)/scan
+- mv sniffer.x $(BINDIR)/sniffer
+- mv spacefill.x $(BINDIR)/spacefill
+- mv superpose.x $(BINDIR)/superpose
+- mv sybylxyz.x $(BINDIR)/sybylxyz
+- mv testgrad.x $(BINDIR)/testgrad
+- mv testhess.x $(BINDIR)/testhess
+- mv testlight.x $(BINDIR)/testlight
+- mv testrot.x $(BINDIR)/testrot
+- mv timer.x $(BINDIR)/timer
+- mv timerot.x $(BINDIR)/timerot
+- mv vibrate.x $(BINDIR)/vibrate
+- mv vibrot.x $(BINDIR)/vibrot
+- mv xtalfit.x $(BINDIR)/xtalfit
+- mv xtalmin.x $(BINDIR)/xtalmin
+- mv xyzedit.x $(BINDIR)/xyzedit
+- mv xyzint.x $(BINDIR)/xyzint
+- mv xyzpdb.x $(BINDIR)/xyzpdb
+- mv xyzsybyl.x $(BINDIR)/xyzsybyl
++ ${INSTALL} -s alchemy.x $(BINDIR)/alchemy
++ ${INSTALL} -s analyze.x $(BINDIR)/analyze
++ ${INSTALL} -s anneal.x $(BINDIR)/anneal
++ ${INSTALL} -s archive.x $(BINDIR)/archive
++ ${INSTALL} -s correlate.x $(BINDIR)/correlate
++ ${INSTALL} -s crystal.x $(BINDIR)/crystal
++ ${INSTALL} -s distgeom.x $(BINDIR)/distgeom
++ ${INSTALL} -s document.x $(BINDIR)/document
++ ${INSTALL} -s dynamic.x $(BINDIR)/dynamic
++ ${INSTALL} -s gda.x $(BINDIR)/gda
++ ${INSTALL} -s intedit.x $(BINDIR)/intedit
++ ${INSTALL} -s intxyz.x $(BINDIR)/intxyz
++ ${INSTALL} -s minimize.x $(BINDIR)/minimize
++ ${INSTALL} -s minirot.x $(BINDIR)/minirot
++ ${INSTALL} -s newton.x $(BINDIR)/newton
++ ${INSTALL} -s newtrot.x $(BINDIR)/newtrot
++ ${INSTALL} -s optimize.x $(BINDIR)/optimize
++ ${INSTALL} -s optirot.x $(BINDIR)/optirot
++ ${INSTALL} -s optrigid.x $(BINDIR)/optrigid
++ ${INSTALL} -s path.x $(BINDIR)/path
++ ${INSTALL} -s pdbxyz.x $(BINDIR)/pdbxyz
++ ${INSTALL} -s protein.x $(BINDIR)/protein
++ ${INSTALL} -s pss.x $(BINDIR)/pss
++ ${INSTALL} -s pssrigid.x $(BINDIR)/pssrigid
++ ${INSTALL} -s pssrot.x $(BINDIR)/pssrot
++ ${INSTALL} -s saddle.x $(BINDIR)/saddle
++ ${INSTALL} -s scan.x $(BINDIR)/scan
++ ${INSTALL} -s sniffer.x $(BINDIR)/sniffer
++ ${INSTALL} -s spacefill.x $(BINDIR)/spacefill
++ ${INSTALL} -s superpose.x $(BINDIR)/superpose
++ ${INSTALL} -s sybylxyz.x $(BINDIR)/sybylxyz
++ ${INSTALL} -s testgrad.x $(BINDIR)/testgrad
++ ${INSTALL} -s testhess.x $(BINDIR)/testhess
++ ${INSTALL} -s testlight.x $(BINDIR)/testlight
++ ${INSTALL} -s testrot.x $(BINDIR)/testrot
++ ${INSTALL} -s timer.x $(BINDIR)/timer
++ ${INSTALL} -s timerot.x $(BINDIR)/timerot
++ ${INSTALL} -s vibrate.x $(BINDIR)/vibrate
++ ${INSTALL} -s vibrot.x $(BINDIR)/vibrot
++ ${INSTALL} -s xtalfit.x $(BINDIR)/xtalfit
++ ${INSTALL} -s xtalmin.x $(BINDIR)/xtalmin
++ ${INSTALL} -s xyzedit.x $(BINDIR)/xyzedit
++ ${INSTALL} -s xyzint.x $(BINDIR)/xyzint
++ ${INSTALL} -s xyzpdb.x $(BINDIR)/xyzpdb
++ ${INSTALL} -s xyzsybyl.x $(BINDIR)/xyzsybyl
+
+ remove_links:
+ rm -f $(LINKDIR)/alchemy
diff -ruN tinker.old/patches/patch-ab tinker/patches/patch-ab
--- tinker.old/patches/patch-ab Fri Jun 18 21:54:27 1999
+++ tinker/patches/patch-ab Sat Jun 19 21:50:10 1999
@@ -1,19 +1,12 @@
-*** ../doc/license.txt.orig Fri Aug 28 23:47:07 1998
---- ../doc/license.txt Fri Aug 28 23:49:13 1998
-***************
-*** 1,7 ****
-! TINKER Software Tools for Molecular Design
-
- Version 3.6 February 1998
-! Copyright © 1990-1998 Jay William Ponder
-
- TINKER is a modular program package for molecular mechanics-
- based potential energy calculations, molecular dynamics
---- 1,7 ----
-! TINKER -- Software Tools for Molecular Design
-
- Version 3.6 February 1998
-! Copyright 1990-1998 Jay William Ponder
-
- TINKER is a modular program package for molecular mechanics-
- based potential energy calculations, molecular dynamics
+--- ../doc/license.txt.orig Wed Jun 16 13:54:43 1999
++++ ../doc/license.txt Sat Jun 19 14:19:18 1999
+@@ -1,7 +1,7 @@
+- TINKER Software Tools for Molecular Design
++ TINKER - Software Tools for Molecular Design
+
+ Version 3.7 June 1999
+- Copyright © 1990-1999 Jay William Ponder
++ Copyright (c) 1990-1999 Jay William Ponder
+
+ TINKER is a modular program package for molecular mechanics-
+ based potential energy calculations, molecular dynamics
diff -ruN tinker.old/patches/patch-ac tinker/patches/patch-ac
--- tinker.old/patches/patch-ac Fri Jun 18 21:54:27 1999
+++ tinker/patches/patch-ac Sat Jun 19 21:50:10 1999
@@ -7,7 +7,7 @@
Jay Ponder Lab, Dept. of Biochemistry & Molecular
Biophysics,
--- 1,4 ----
-! TINKER -- Software Tools for Molecular Design
+! TINKER - Software Tools for Molecular Design
Jay Ponder Lab, Dept. of Biochemistry & Molecular
Biophysics,
diff -ruN tinker.old/pkg/DESCR tinker/pkg/DESCR
--- tinker.old/pkg/DESCR Fri Jun 18 21:54:27 1999
+++ tinker/pkg/DESCR Sat Jun 19 21:50:10 1999
@@ -1,10 +1,11 @@
Tinker is a set of small programs for doing general purpose molecular
modeling. Tools are included for energy minimizations, geometry
-calculations, and molecular analysis calculations. Tools for
-converting coordinate sets are also provided.
+calculations, and molecular analysis calculations. Tools for converting
+coordinate sets are also provided.
Tinker employs several force fields and minimizaation techniques.
-Simulated annealing and molecular dynamics can be performed with
-Tinker.
+Simulated annealing and molecular dynamics can be performed with Tinker.
+
+For more information about Tinker see:
WWW: http://dasher.wustl.edu/tinker/
diff -ruN tinker.old/pkg/PLIST tinker/pkg/PLIST
--- tinker.old/pkg/PLIST Fri Jun 18 21:54:27 1999
+++ tinker/pkg/PLIST Sat Jun 19 21:50:10 1999
@@ -47,23 +47,26 @@
share/tinker/params/charmm.prm
share/tinker/params/emr.prm
share/tinker/params/hoch.prm
-share/tinker/params/merck.prm
share/tinker/params/mm2.prm
share/tinker/params/mm3.prm
share/tinker/params/mm3pro.prm
-share/tinker/params/mmffpro.prm
share/tinker/params/opls.prm
share/tinker/params/oplsaa.prm
share/tinker/params/smooth.prm
+share/tinker/params/smoothaa.prm
share/tinker/params/tinker.prm
share/tinker/params/water.prm
share/tinker/doc/README
+share/tinker/doc/guide.pdf
share/tinker/doc/guide.ps.Z
share/tinker/doc/guide.txt
+share/tinker/doc/license.pdf
share/tinker/doc/license.ps
share/tinker/doc/license.txt
+share/tinker/doc/logo-bind.ps.Z
share/tinker/doc/logo.ps.Z
share/tinker/doc/spine.ps
+share/tinker/doc/summary.pdf
share/tinker/doc/summary.ps
share/tinker/doc/summary.txt
share/tinker/tinker.txt
@@ -116,6 +119,11 @@
share/tinker/example/formamide.key
share/tinker/example/formamide.log
share/tinker/example/formamide.run
+share/tinker/example/helix.in1
+share/tinker/example/helix.key
+share/tinker/example/helix.log
+share/tinker/example/helix.run
+share/tinker/example/helix.xyz
share/tinker/bench/crambin.input
share/tinker/bench/crambin.key
share/tinker/bench/crambin.run
@@ -131,6 +139,7 @@
share/tinker/bench/results-3.2
share/tinker/bench/results-3.4
share/tinker/bench/results-3.5
+share/tinker/bench/results-3.7
share/tinker/bench/water.dyn0
share/tinker/bench/water.input
share/tinker/bench/water.key
@@ -148,15 +157,17 @@
share/tinker/test/annulene3.xyz
share/tinker/test/arach.int
share/tinker/test/arach.key
-share/tinker/test/arach.xmol
share/tinker/test/arach.xyz
share/tinker/test/azulene.int
share/tinker/test/azulene.key
share/tinker/test/azulene.xyz
-share/tinker/test/bearing.big
share/tinker/test/bearing.key
share/tinker/test/bearing.pdb
share/tinker/test/bearing.xyz
+share/tinker/test/bearing2.key
+share/tinker/test/bearing2.pdb
+share/tinker/test/c5.key
+share/tinker/test/bearing2.xyz
share/tinker/test/benzene.int
share/tinker/test/benzene.key
share/tinker/test/benzene.xyz
@@ -177,29 +188,29 @@
share/tinker/test/butopls2.int
share/tinker/test/butopls2.key
share/tinker/test/butopls2.xyz
-share/tinker/test/c5.int
-share/tinker/test/c5.key
+share/tinker/test/c5.seq
share/tinker/test/c5.xyz
-share/tinker/test/c7ax.int
share/tinker/test/c7ax.key
+share/tinker/test/c7ax.seq
share/tinker/test/c7ax.xyz
-share/tinker/test/c7eq.int
share/tinker/test/c7eq.key
+share/tinker/test/c7eq.seq
share/tinker/test/c7eq.xyz
share/tinker/test/cpentene.key
share/tinker/test/cpentene.xyz
-share/tinker/test/crambin.int
share/tinker/test/crambin.key
share/tinker/test/crambin.pdb
share/tinker/test/crambin.seq
share/tinker/test/crambin.xyz
share/tinker/test/crambinx.key
+share/tinker/test/crambinx.ray
share/tinker/test/crambinx.xyz
share/tinker/test/crown.int
share/tinker/test/crown.key
share/tinker/test/crown.xyz
share/tinker/test/cychept.int
share/tinker/test/cychept.key
+share/tinker/test/cychept.pdb
share/tinker/test/cychept.xyz
share/tinker/test/cyclo.int
share/tinker/test/cyclo.key
@@ -207,25 +218,28 @@
share/tinker/test/cyclo2.int
share/tinker/test/cyclo2.key
share/tinker/test/cyclo2.xyz
-share/tinker/test/nma.int
share/tinker/test/diene.int
share/tinker/test/diene.key
share/tinker/test/diene.xyz
share/tinker/test/dimethane.key
share/tinker/test/dimethane.xyz
share/tinker/test/diwater.key
-share/tinker/test/diwater.lin
+share/tinker/test/diwater.min
share/tinker/test/diwater.xyz
share/tinker/test/enkephalin.int
share/tinker/test/enkephalin.key
share/tinker/test/enkephalin.make
share/tinker/test/enkephalin.pdb
+share/tinker/test/enkephalin.run
share/tinker/test/enkephalin.seq
share/tinker/test/enkephalin.xyz
share/tinker/test/ermer.int
share/tinker/test/ermer.key
share/tinker/test/ermer.xyz
+share/tinker/test/ester.key
+share/tinker/test/ester.xyz
share/tinker/test/ethane.int
+share/tinker/test/nma.int
share/tinker/test/ethane.key
share/tinker/test/ethane.xyz
share/tinker/test/ethylene.int
@@ -234,6 +248,8 @@
share/tinker/test/flane.int
share/tinker/test/flane.key
share/tinker/test/flane.xyz
+share/tinker/test/formamide.key
+share/tinker/test/formamide.xyz
share/tinker/test/furan.int
share/tinker/test/furan.key
share/tinker/test/furan.xyz
@@ -280,10 +296,6 @@
share/tinker/test/peptide.xyz
share/tinker/test/phenanth.key
share/tinker/test/phenanth.xyz
-share/tinker/test/photo.key
-share/tinker/test/photo.pdb
-share/tinker/test/photo.seq
-share/tinker/test/photo.xyz
share/tinker/test/propellane.int
share/tinker/test/propellane.key
share/tinker/test/propellane.xyz
>Release-Note:
>Audit-Trail:
>Unformatted:
To Unsubscribe: send mail to majordomo@FreeBSD.org
with "unsubscribe freebsd-ports" in the body of the message
Want to link to this message? Use this URL: <https://mail-archive.FreeBSD.org/cgi/mid.cgi?199906200313.WAA75960>