Date: Mon, 7 Sep 1998 14:27:31 -0500 (CDT) From: Glenn Johnson <gljohns@bellsouth.net> To: FreeBSD-gnats-submit@FreeBSD.ORG Subject: ports/7854: Update of ports/7773 Message-ID: <199809071927.OAA00545@gforce.bellsouth.net>
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>Number: 7854 >Category: ports >Synopsis: Replacement of ports/7773 >Confidential: yes >Severity: serious >Priority: medium >Responsible: freebsd-ports >State: open >Quarter: >Keywords: >Date-Required: >Class: change-request >Submitter-Id: current-users >Arrival-Date: Mon Sep 7 12:30:02 PDT 1998 >Last-Modified: >Originator: Glenn Johnson >Organization: >Release: FreeBSD 3.0-CURRENT i386 >Environment: Built with FreeBSD 3.0-aout. This port should go in the biology category. >Description: I added a couple of minor patch files and took out some i386 specific optimizations, so hopefully this may also run on the alpha platform. This replaces ports 7773, so that PR can be closed. >How-To-Repeat: >Fix: This should be placed in the biology port category. # This is a shell archive. Save it in a file, remove anything before # this line, and then unpack it by entering "sh file". Note, it may # create directories; files and directories will be owned by you and # have default permissions. # # This archive contains: # # tinker # tinker/Makefile # tinker/files # tinker/files/md5 # tinker/pkg # tinker/pkg/COMMENT # tinker/pkg/DESCR # tinker/pkg/PLIST # tinker/patches # tinker/patches/patch-aa # tinker/patches/patch-ab # tinker/patches/patch-ac # tinker/patches/patch-ad # tinker/patches/patch-ae # tinker/patches/patch-af # echo c - tinker mkdir -p tinker > /dev/null 2>&1 echo x - tinker/Makefile sed 's/^X//' >tinker/Makefile << 'END-of-tinker/Makefile' X# New ports collection makefile for: tinker X# Version required: 3.6 X# Date Created: 26 August 1998 X# Whom: Glenn Johnson X# X# $Id$ X# X XDISTNAME= tinker XPKGNAME= tinker-3.6 XCATEGORIES= biology XMASTER_SITES= ftp://dasher.wustl.edu/pub/ X XMAINTAINER= gjohnson@nola.srrc.usda.gov X X# Check for g77, then check if it is egcs g77 XBUILD_DEPENDS= g77:${PORTSDIR}/lang/egcs \ X egcc:${PORTSDIR}/lang/egcs X XWRKSRC= ${WRKDIR}/tinker/source X XMAKEFILE= ${WRKDIR}/tinker/make/Makefile XALL_TARGET= all listing XINSTALL_TARGET= rename X XRESTRICTED= author requests no distribution except from his FTP site X Xpre-install: X strip ${WRKSRC}/*.x X chmod 555 ${WRKSRC}/*.x X Xpost-install: X ${MKDIR} ${PREFIX}/share/tinker/params X ${INSTALL_DATA} ${WRKDIR}/tinker/params/* ${PREFIX}/share/tinker/params X ${INSTALL_DATA} ${WRKDIR}/tinker/source/tinker.txt \ X${PREFIX}/share/tinker X.if !defined(NOPORTDOCS) X ${MKDIR} ${PREFIX}/share/tinker/doc X ${MKDIR} ${PREFIX}/share/tinker/example X ${MKDIR} ${PREFIX}/share/tinker/bench X ${MKDIR} ${PREFIX}/share/tinker/test X ${INSTALL_DATA} ${WRKDIR}/tinker/doc/* ${PREFIX}/share/tinker/doc X ${INSTALL_DATA} ${WRKDIR}/tinker/example/* \ X${PREFIX}/share/tinker/example X ${INSTALL_SCRIPT} ${WRKDIR}/tinker/example/*.run \ X${PREFIX}/share/tinker/example X ${INSTALL_DATA} ${WRKDIR}/tinker/bench/* ${PREFIX}/share/tinker/bench X ${INSTALL_SCRIPT} ${WRKDIR}/tinker/bench/*.run \ X${PREFIX}/share/tinker/bench X ${INSTALL_DATA} ${WRKDIR}/tinker/test/* ${PREFIX}/share/tinker/test X.endif X @${ECHO} "" X @${ECHO} " **********************************************************" X @${ECHO} " The author requests that you return a license form " X @${ECHO} " to him if you find Tinker to be useful. " X @${ECHO} " " X @${ECHO} " See ${PREFIX}/share/tinker/doc for license forms. " X @${ECHO} " **********************************************************" X @${ECHO} "" X X.include <bsd.port.mk> END-of-tinker/Makefile echo c - tinker/files mkdir -p tinker/files > /dev/null 2>&1 echo x - tinker/files/md5 sed 's/^X//' >tinker/files/md5 << 'END-of-tinker/files/md5' XMD5 (tinker.tar.gz) = 9b21715ee725eddbcd750a1d0f5836b4 END-of-tinker/files/md5 echo c - tinker/pkg mkdir -p tinker/pkg > /dev/null 2>&1 echo x - tinker/pkg/COMMENT sed 's/^X//' >tinker/pkg/COMMENT << 'END-of-tinker/pkg/COMMENT' XTinker is a general purpose molecular modelling package. END-of-tinker/pkg/COMMENT echo x - tinker/pkg/DESCR sed 's/^X//' >tinker/pkg/DESCR << 'END-of-tinker/pkg/DESCR' XTinker is a set of small programs for doing general purpose molecular Xmodeling. Tools are included for energy minimizations, geometry Xcalculations, and molecular analysis calculations. Tools for Xconverting coordinate sets are also provided. X XTinker employs several force fields and minimizaation techniques. XSimulated annealing and molecular dynamics can be performed with XTinker. X XFor more information visit the web page at: X Xhttp://dasher.wustl.edu/tinker/ END-of-tinker/pkg/DESCR echo x - tinker/pkg/PLIST sed 's/^X//' >tinker/pkg/PLIST << 'END-of-tinker/pkg/PLIST' Xbin/alchemy Xbin/analyze Xbin/anneal Xbin/archive Xbin/correlate Xbin/crystal Xbin/distgeom Xbin/document Xbin/dynamic Xbin/gda Xbin/intedit Xbin/intxyz Xbin/minimize Xbin/minirot Xbin/newton Xbin/newtrot Xbin/optimize Xbin/optirot Xbin/optrigid Xbin/path Xbin/pdbxyz Xbin/protein Xbin/pss Xbin/pssrigid Xbin/pssrot Xbin/saddle Xbin/sniffer Xbin/spacefill Xbin/superpose Xbin/sybylxyz Xbin/testgrad Xbin/testhess Xbin/testlight Xbin/testrot Xbin/timer Xbin/timerot Xbin/vibrate Xbin/vibrot Xbin/xtalfit Xbin/xtalmin Xbin/xyzedit Xbin/xyzint Xbin/xyzpdb Xbin/xyzsybyl Xshare/tinker/params/README Xshare/tinker/params/amber.prm Xshare/tinker/params/charmm.prm Xshare/tinker/params/emr.prm Xshare/tinker/params/hoch.prm Xshare/tinker/params/merck.prm Xshare/tinker/params/mm2.prm Xshare/tinker/params/mm3.prm Xshare/tinker/params/mm3pro.prm Xshare/tinker/params/mmffpro.prm Xshare/tinker/params/opls.prm Xshare/tinker/params/oplsaa.prm Xshare/tinker/params/smooth.prm Xshare/tinker/params/tinker.prm Xshare/tinker/params/water.prm Xshare/tinker/doc/README Xshare/tinker/doc/guide.ps.Z Xshare/tinker/doc/guide.txt Xshare/tinker/doc/license.ps Xshare/tinker/doc/license.txt Xshare/tinker/doc/logo.ps.Z Xshare/tinker/doc/spine.ps Xshare/tinker/doc/summary.ps Xshare/tinker/doc/summary.txt Xshare/tinker/tinker.txt Xshare/tinker/example/README Xshare/tinker/example/anion.dyn0 Xshare/tinker/example/anion.in1 Xshare/tinker/example/anion.in2 Xshare/tinker/example/anion.key Xshare/tinker/example/anion.log Xshare/tinker/example/anion.run Xshare/tinker/example/anion.xyz Xshare/tinker/example/argon.1st Xshare/tinker/example/argon.in1 Xshare/tinker/example/argon.in2 Xshare/tinker/example/argon.key Xshare/tinker/example/argon.log Xshare/tinker/example/argon.run Xshare/tinker/example/clean.make Xshare/tinker/example/cluster.in1 Xshare/tinker/example/cluster.key Xshare/tinker/example/cluster.log Xshare/tinker/example/cluster.run Xshare/tinker/example/cluster.xyz Xshare/tinker/example/crambin.in1 Xshare/tinker/example/crambin.in2 Xshare/tinker/example/crambin.in3 Xshare/tinker/example/crambin.key Xshare/tinker/example/crambin.log Xshare/tinker/example/crambin.pdb Xshare/tinker/example/crambin.run Xshare/tinker/example/cyclohex.boat Xshare/tinker/example/cyclohex.chair Xshare/tinker/example/cyclohex.in1 Xshare/tinker/example/cyclohex.in2 Xshare/tinker/example/cyclohex.in3 Xshare/tinker/example/cyclohex.key Xshare/tinker/example/cyclohex.log Xshare/tinker/example/cyclohex.run Xshare/tinker/example/enkephalin.in1 Xshare/tinker/example/enkephalin.in2 Xshare/tinker/example/enkephalin.in3 Xshare/tinker/example/enkephalin.key Xshare/tinker/example/enkephalin.log Xshare/tinker/example/enkephalin.run Xshare/tinker/example/formamide.cell Xshare/tinker/example/formamide.in1 Xshare/tinker/example/formamide.in2 Xshare/tinker/example/formamide.in3 Xshare/tinker/example/formamide.in4 Xshare/tinker/example/formamide.key Xshare/tinker/example/formamide.log Xshare/tinker/example/formamide.run Xshare/tinker/bench/crambin.input Xshare/tinker/bench/crambin.key Xshare/tinker/bench/crambin.run Xshare/tinker/bench/crambin.xyz Xshare/tinker/bench/crystal.input Xshare/tinker/bench/crystal.key Xshare/tinker/bench/crystal.run Xshare/tinker/bench/crystal.xyz Xshare/tinker/bench/results-2.3 Xshare/tinker/bench/results-2.4 Xshare/tinker/bench/results-2.9 Xshare/tinker/bench/results-3.1 Xshare/tinker/bench/results-3.2 Xshare/tinker/bench/results-3.4 Xshare/tinker/bench/results-3.5 Xshare/tinker/bench/water.dyn0 Xshare/tinker/bench/water.input Xshare/tinker/bench/water.key Xshare/tinker/bench/water.run Xshare/tinker/bench/water.xyz Xshare/tinker/test/README Xshare/tinker/test/ala20.key Xshare/tinker/test/ala20.xyz Xshare/tinker/test/annulene.int Xshare/tinker/test/annulene.key Xshare/tinker/test/annulene.xyz Xshare/tinker/test/annulene2.key Xshare/tinker/test/annulene2.xyz Xshare/tinker/test/annulene3.key Xshare/tinker/test/annulene3.xyz Xshare/tinker/test/arach.int Xshare/tinker/test/arach.key Xshare/tinker/test/arach.xmol Xshare/tinker/test/arach.xyz Xshare/tinker/test/azulene.int Xshare/tinker/test/azulene.key Xshare/tinker/test/azulene.xyz Xshare/tinker/test/bearing.big Xshare/tinker/test/bearing.key Xshare/tinker/test/bearing.pdb Xshare/tinker/test/bearing.xyz Xshare/tinker/test/benzene.int Xshare/tinker/test/benzene.key Xshare/tinker/test/benzene.xyz Xshare/tinker/test/butane.int Xshare/tinker/test/butane.key Xshare/tinker/test/butane.xyz Xshare/tinker/test/butane2.int Xshare/tinker/test/butane2.key Xshare/tinker/test/butane2.xyz Xshare/tinker/test/butanes.dyn Xshare/tinker/test/butanes.key Xshare/tinker/test/butanes.xyz Xshare/tinker/test/butanex.key Xshare/tinker/test/butanex.xyz Xshare/tinker/test/butopls.int Xshare/tinker/test/butopls.key Xshare/tinker/test/butopls.xyz Xshare/tinker/test/butopls2.int Xshare/tinker/test/butopls2.key Xshare/tinker/test/butopls2.xyz Xshare/tinker/test/c5.int Xshare/tinker/test/c5.key Xshare/tinker/test/c5.xyz Xshare/tinker/test/c7ax.int Xshare/tinker/test/c7ax.key Xshare/tinker/test/c7ax.xyz Xshare/tinker/test/c7eq.int Xshare/tinker/test/c7eq.key Xshare/tinker/test/c7eq.xyz Xshare/tinker/test/cpentene.key Xshare/tinker/test/cpentene.xyz Xshare/tinker/test/crambin.int Xshare/tinker/test/crambin.key Xshare/tinker/test/crambin.pdb Xshare/tinker/test/crambin.seq Xshare/tinker/test/crambin.xyz Xshare/tinker/test/crambinx.key Xshare/tinker/test/crambinx.xyz Xshare/tinker/test/crown.int Xshare/tinker/test/crown.key Xshare/tinker/test/crown.xyz Xshare/tinker/test/cychept.int Xshare/tinker/test/cychept.key Xshare/tinker/test/cychept.xyz Xshare/tinker/test/cyclo.int Xshare/tinker/test/cyclo.key Xshare/tinker/test/cyclo.xyz Xshare/tinker/test/cyclo2.int Xshare/tinker/test/cyclo2.key Xshare/tinker/test/cyclo2.xyz Xshare/tinker/test/nma.int Xshare/tinker/test/diene.int Xshare/tinker/test/diene.key Xshare/tinker/test/diene.xyz Xshare/tinker/test/dimethane.key Xshare/tinker/test/dimethane.xyz Xshare/tinker/test/diwater.key Xshare/tinker/test/diwater.lin Xshare/tinker/test/diwater.xyz Xshare/tinker/test/enkephalin.int Xshare/tinker/test/enkephalin.key Xshare/tinker/test/enkephalin.make Xshare/tinker/test/enkephalin.pdb Xshare/tinker/test/enkephalin.seq Xshare/tinker/test/enkephalin.xyz Xshare/tinker/test/ermer.int Xshare/tinker/test/ermer.key Xshare/tinker/test/ermer.xyz Xshare/tinker/test/ethane.int Xshare/tinker/test/ethane.key Xshare/tinker/test/ethane.xyz Xshare/tinker/test/ethylene.int Xshare/tinker/test/ethylene.key Xshare/tinker/test/ethylene.xyz Xshare/tinker/test/flane.int Xshare/tinker/test/flane.key Xshare/tinker/test/flane.xyz Xshare/tinker/test/furan.int Xshare/tinker/test/furan.key Xshare/tinker/test/furan.xyz Xshare/tinker/test/glucose.key Xshare/tinker/test/glucose.xyz Xshare/tinker/test/helix.key Xshare/tinker/test/helix.xyz Xshare/tinker/test/imidazole.int Xshare/tinker/test/imidazole.key Xshare/tinker/test/imidazole.xyz Xshare/tinker/test/imine.int Xshare/tinker/test/imine.key Xshare/tinker/test/imine.xyz Xshare/tinker/test/lactam.key Xshare/tinker/test/lactam.xyz Xshare/tinker/test/methane.int Xshare/tinker/test/methane.key Xshare/tinker/test/methane.xyz Xshare/tinker/test/methanol.key Xshare/tinker/test/methanol.xyz Xshare/tinker/test/nma.key Xshare/tinker/test/nma.xyz Xshare/tinker/test/nmabox.dyn Xshare/tinker/test/nmabox.key Xshare/tinker/test/nmabox.xyz Xshare/tinker/test/nstilbene.int Xshare/tinker/test/nstilbene.key Xshare/tinker/test/nstilbene.xyz Xshare/tinker/test/octane.int Xshare/tinker/test/octane.key Xshare/tinker/test/octane.xyz Xshare/tinker/test/octane2.int Xshare/tinker/test/octane2.key Xshare/tinker/test/octane2.xyz Xshare/tinker/test/octene.key Xshare/tinker/test/octene.xyz Xshare/tinker/test/palmitate.key Xshare/tinker/test/palmitate.xyz Xshare/tinker/test/peptide.int Xshare/tinker/test/peptide.key Xshare/tinker/test/peptide.make Xshare/tinker/test/peptide.pdb Xshare/tinker/test/peptide.seq Xshare/tinker/test/peptide.xyz Xshare/tinker/test/phenanth.key Xshare/tinker/test/phenanth.xyz Xshare/tinker/test/photo.key Xshare/tinker/test/photo.pdb Xshare/tinker/test/photo.seq Xshare/tinker/test/photo.xyz Xshare/tinker/test/propellane.int Xshare/tinker/test/propellane.key Xshare/tinker/test/propellane.xyz Xshare/tinker/test/pyridine.int Xshare/tinker/test/pyridine.key Xshare/tinker/test/pyridine.xyz Xshare/tinker/test/pyrrole.int Xshare/tinker/test/pyrrole.key Xshare/tinker/test/pyrrole.xyz Xshare/tinker/test/retinoic.key Xshare/tinker/test/retinoic.xyz Xshare/tinker/test/sterol.key Xshare/tinker/test/sterol.xyz Xshare/tinker/test/styrene.int Xshare/tinker/test/styrene.key Xshare/tinker/test/styrene.xyz Xshare/tinker/test/thiadiene.int Xshare/tinker/test/thiadiene.key Xshare/tinker/test/thiadiene.xyz Xshare/tinker/test/thiophene.int Xshare/tinker/test/thiophene.key Xshare/tinker/test/thiophene.xyz Xshare/tinker/test/thr.int Xshare/tinker/test/thr.key Xshare/tinker/test/thr.xyz Xshare/tinker/test/water.int Xshare/tinker/test/water.key Xshare/tinker/test/water.xyz Xshare/tinker/test/waterbig.key Xshare/tinker/test/waterbig.xyz Xshare/tinker/test/waterbox.dyn Xshare/tinker/test/waterbox.key Xshare/tinker/test/waterbox.xyz Xshare/tinker/test/waterhuge.key Xshare/tinker/test/waterhuge.xyz Xshare/tinker/test/wateroct.dyn Xshare/tinker/test/wateroct.key Xshare/tinker/test/wateroct.xyz Xshare/tinker/test/watersmall.dyn Xshare/tinker/test/watersmall.key Xshare/tinker/test/watersmall.xyz Xshare/tinker/test/white.int Xshare/tinker/test/white.key Xshare/tinker/test/white.xyz X@dirrm share/tinker/params X@dirrm share/tinker/doc X@dirrm share/tinker/example X@dirrm share/tinker/bench X@dirrm share/tinker/test X@dirrm share/tinker END-of-tinker/pkg/PLIST echo c - tinker/patches mkdir -p tinker/patches > /dev/null 2>&1 echo x - tinker/patches/patch-aa sed 's/^X//' >tinker/patches/patch-aa << 'END-of-tinker/patches/patch-aa' X*** ../make/Makefile.orig Sat Apr 11 11:38:14 1998 X--- ../make/Makefile Sun Sep 6 21:45:08 1998 X*************** X*** 9,16 **** X ## X ## 1. make all Build all the TINKER executables X ## 2. make rename Move the executables to BINDIR X! ## 3. make remove_links Create soft links in LINKDIR X! ## 4. make create_links Remove soft links from LINKDIR X ## 6. make listing Concatenate source to tinker.txt X ## 5. make clean Delete objects and executables X ## X--- 9,16 ---- X ## X ## 1. make all Build all the TINKER executables X ## 2. make rename Move the executables to BINDIR X! ## 3. make remove_links Remove soft links in LINKDIR X! ## 4. make create_links Create soft links from LINKDIR X ## 6. make listing Concatenate source to tinker.txt X ## 5. make clean Delete objects and executables X ## X*************** X*** 30,38 **** X ## LINKDIR Linked Copies of TINKER Executables X ## X X! TINKERDIR = /user/ponder/tinker X! BINDIR = $(TINKERDIR)/bin X! LINKDIR = /usr/local/bin X X #################################################################### X ## Known Machine Types; Uncomment One of the Following Sections ## X--- 30,38 ---- X ## LINKDIR Linked Copies of TINKER Executables X ## X X! TINKERDIR = ${WRKDIR} X! BINDIR = ${PREFIX}/bin X! #LINKDIR = /usr/local/bin X X #################################################################### X ## Known Machine Types; Uncomment One of the Following Sections ## X*************** X*** 45,57 **** X ## Compiler: DEC Fortran 77/90, V4.1 X ## X X! F77 = /usr/bin/f77 X! RM = /sbin/rm X! LIBS = X! F77FLAGS = -c X! OPTFLAGS = -fast -tune host X! LIBFLAGS = -rlv X! LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched X X ## X ## Machine: Silicon Graphics X--- 45,57 ---- X ## Compiler: DEC Fortran 77/90, V4.1 X ## X X! #F77 = /usr/bin/f77 X! #RM = /sbin/rm X! #LIBS = X! #F77FLAGS = -c X! #OPTFLAGS = -fast -tune host X! #LIBFLAGS = -rlv X! #LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched X X ## X ## Machine: Silicon Graphics X*************** X*** 104,109 **** X--- 104,124 ---- X #diagq.o: X # ${F77} ${F77FLAGS} -ffast-math diagq.f X X+ ## X+ ## Machine: IntelPC X+ ## CPU Type: Pentium Pro X+ ## Oper Sys: FreeBSD 3.0 X+ ## Compiler: egcs g77 X+ ## X+ X+ F77 = g77 X+ RM = /bin/rm X+ F77FLAGS = -c -Wno-globals X+ OPTFLAGS = ${CFLAGS} -O2 -ffast-math X+ LIBFLAGS = -rcuv X+ diagq.o: X+ ${F77} ${F77FLAGS} -ffast-math diagq.f X+ X ################################################################# X ## Should not be Necessary to Change Things Below this Point ## X ################################################################# X*************** X*** 766,771 **** X--- 781,787 ---- X volume2.o \ X writeout.o \ X xyzatm.o X+ ranlib libtinker.a X X alchemy.x: X ${F77} ${LINKFLAGS} -o alchemy.x alchemy.o libtinker.a ${LIBS} X*************** X*** 857,906 **** X ${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS} X X rename: X! mv alchemy.x $(BINDIR)/alchemy X! mv analyze.x $(BINDIR)/analyze X! mv anneal.x $(BINDIR)/anneal X! mv archive.x $(BINDIR)/archive X! mv correlate.x $(BINDIR)/correlate X! mv crystal.x $(BINDIR)/crystal X! mv distgeom.x $(BINDIR)/distgeom X! mv document.x $(BINDIR)/document X! mv dynamic.x $(BINDIR)/dynamic X! mv gda.x $(BINDIR)/gda X! mv intedit.x $(BINDIR)/intedit X! mv intxyz.x $(BINDIR)/intxyz X! mv minimize.x $(BINDIR)/minimize X! mv minirot.x $(BINDIR)/minirot X! mv newton.x $(BINDIR)/newton X! mv newtrot.x $(BINDIR)/newtrot X! mv optimize.x $(BINDIR)/optimize X! mv optirot.x $(BINDIR)/optirot X! mv optrigid.x $(BINDIR)/optrigid X! mv path.x $(BINDIR)/path X! mv pdbxyz.x $(BINDIR)/pdbxyz X! mv protein.x $(BINDIR)/protein X! mv pss.x $(BINDIR)/pss X! mv pssrigid.x $(BINDIR)/pssrigid X! mv pssrot.x $(BINDIR)/pssrot X! mv saddle.x $(BINDIR)/saddle X! mv sniffer.x $(BINDIR)/sniffer X! mv spacefill.x $(BINDIR)/spacefill X! mv superpose.x $(BINDIR)/superpose X! mv sybylxyz.x $(BINDIR)/sybylxyz X! mv testgrad.x $(BINDIR)/testgrad X! mv testhess.x $(BINDIR)/testhess X! mv testlight.x $(BINDIR)/testlight X! mv testrot.x $(BINDIR)/testrot X! mv timer.x $(BINDIR)/timer X! mv timerot.x $(BINDIR)/timerot X! mv vibrate.x $(BINDIR)/vibrate X! mv vibrot.x $(BINDIR)/vibrot X! mv xtalfit.x $(BINDIR)/xtalfit X! mv xtalmin.x $(BINDIR)/xtalmin X! mv xyzedit.x $(BINDIR)/xyzedit X! mv xyzint.x $(BINDIR)/xyzint X! mv xyzpdb.x $(BINDIR)/xyzpdb X! mv xyzsybyl.x $(BINDIR)/xyzsybyl X X remove_links: X rm -f $(LINKDIR)/alchemy X--- 873,922 ---- X ${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS} X X rename: X! cp alchemy.x $(BINDIR)/alchemy X! cp analyze.x $(BINDIR)/analyze X! cp anneal.x $(BINDIR)/anneal X! cp archive.x $(BINDIR)/archive X! cp correlate.x $(BINDIR)/correlate X! cp crystal.x $(BINDIR)/crystal X! cp distgeom.x $(BINDIR)/distgeom X! cp document.x $(BINDIR)/document X! cp dynamic.x $(BINDIR)/dynamic X! cp gda.x $(BINDIR)/gda X! cp intedit.x $(BINDIR)/intedit X! cp intxyz.x $(BINDIR)/intxyz X! cp minimize.x $(BINDIR)/minimize X! cp minirot.x $(BINDIR)/minirot X! cp newton.x $(BINDIR)/newton X! cp newtrot.x $(BINDIR)/newtrot X! cp optimize.x $(BINDIR)/optimize X! cp optirot.x $(BINDIR)/optirot X! cp optrigid.x $(BINDIR)/optrigid X! cp path.x $(BINDIR)/path X! cp pdbxyz.x $(BINDIR)/pdbxyz X! cp protein.x $(BINDIR)/protein X! cp pss.x $(BINDIR)/pss X! cp pssrigid.x $(BINDIR)/pssrigid X! cp pssrot.x $(BINDIR)/pssrot X! cp saddle.x $(BINDIR)/saddle X! cp sniffer.x $(BINDIR)/sniffer X! cp spacefill.x $(BINDIR)/spacefill X! cp superpose.x $(BINDIR)/superpose X! cp sybylxyz.x $(BINDIR)/sybylxyz X! cp testgrad.x $(BINDIR)/testgrad X! cp testhess.x $(BINDIR)/testhess X! cp testlight.x $(BINDIR)/testlight X! cp testrot.x $(BINDIR)/testrot X! cp timer.x $(BINDIR)/timer X! cp timerot.x $(BINDIR)/timerot X! cp vibrate.x $(BINDIR)/vibrate X! cp vibrot.x $(BINDIR)/vibrot X! cp xtalfit.x $(BINDIR)/xtalfit X! cp xtalmin.x $(BINDIR)/xtalmin X! cp xyzedit.x $(BINDIR)/xyzedit X! cp xyzint.x $(BINDIR)/xyzint X! cp xyzpdb.x $(BINDIR)/xyzpdb X! cp xyzsybyl.x $(BINDIR)/xyzsybyl X X remove_links: X rm -f $(LINKDIR)/alchemy END-of-tinker/patches/patch-aa echo x - tinker/patches/patch-ab sed 's/^X//' >tinker/patches/patch-ab << 'END-of-tinker/patches/patch-ab' X*** ../doc/license.txt.orig Fri Aug 28 23:47:07 1998 X--- ../doc/license.txt Fri Aug 28 23:49:13 1998 X*************** X*** 1,7 **** X! TINKER Software Tools for Molecular Design X X Version 3.6 February 1998 X! Copyright © 1990-1998 Jay William Ponder X X TINKER is a modular program package for molecular mechanics- X based potential energy calculations, molecular dynamics X--- 1,7 ---- X! TINKER -- Software Tools for Molecular Design X X Version 3.6 February 1998 X! Copyright 1990-1998 Jay William Ponder X X TINKER is a modular program package for molecular mechanics- X based potential energy calculations, molecular dynamics END-of-tinker/patches/patch-ab echo x - tinker/patches/patch-ac sed 's/^X//' >tinker/patches/patch-ac << 'END-of-tinker/patches/patch-ac' X*** ../doc/summary.txt.orig Fri Aug 28 23:50:17 1998 X--- ../doc/summary.txt Fri Aug 28 23:50:33 1998 X*************** X*** 1,4 **** X! TINKER Software Tools for Molecular Design X X Jay Ponder Lab, Dept. of Biochemistry & Molecular X Biophysics, X--- 1,4 ---- X! TINKER -- Software Tools for Molecular Design X X Jay Ponder Lab, Dept. of Biochemistry & Molecular X Biophysics, END-of-tinker/patches/patch-ac echo x - tinker/patches/patch-ad sed 's/^X//' >tinker/patches/patch-ad << 'END-of-tinker/patches/patch-ad' X*** ../bench/crambin.run.orig Sat Aug 29 21:54:06 1998 X--- ../bench/crambin.run Sat Aug 29 21:54:20 1998 X*************** X*** 1 **** X! ../bin/timer < crambin.input X--- 1 ---- X! timer < crambin.input END-of-tinker/patches/patch-ad echo x - tinker/patches/patch-ae sed 's/^X//' >tinker/patches/patch-ae << 'END-of-tinker/patches/patch-ae' X*** ../bench/crystal.run.orig Sat Aug 29 21:56:20 1998 X--- ../bench/crystal.run Sat Aug 29 21:56:30 1998 X*************** X*** 1 **** X! ../bin/timer < crystal.input X--- 1 ---- X! timer < crystal.input END-of-tinker/patches/patch-ae echo x - tinker/patches/patch-af sed 's/^X//' >tinker/patches/patch-af << 'END-of-tinker/patches/patch-af' X*** ../bench/water.run.orig Sat Aug 29 21:56:44 1998 X--- ../bench/water.run Sat Aug 29 21:56:58 1998 X*************** X*** 1,3 **** X cp water.dyn0 water.dyn X! time ../bin/dynamic < water.input X rm water.dyn X--- 1,3 ---- X cp water.dyn0 water.dyn X! time dynamic < water.input X rm water.dyn END-of-tinker/patches/patch-af exit >Audit-Trail: >Unformatted: To Unsubscribe: send mail to majordomo@FreeBSD.org with "unsubscribe freebsd-ports" in the body of the message
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