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freebsd-ports/biology/tinker/files/patch-aa
Joseph Koshy b7793771c4 New port of the Tinker Molecular modelling program. 
PR:		8690
Reviewed by:	jkoshy
Submitted by:	Glenn Johnson <gljohns@bellsouth.net>
1998-11-17 04:53:17 +00:00

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*** ../make/Makefile.orig Sat Apr 11 11:38:14 1998
--- ../make/Makefile Sat Nov 14 02:05:02 1998
***************
*** 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 ****
--- 104,134 ----
#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 ${FC}==f77
+ LIBS = -lU77
+ F77FLAGS = -NL400 -c
+ LINKFLAGS = -L${PREFIX}/lib
+ .elseif ${FC}==g77
+ LIBS=
+ F77FLAGS = -Wno-globals -fno-globals -c
+ LINKFLAGS =
+ .endif
+
+ OPTFLAGS = ${FFLAGS} -ffast-math -malign-double
+ LIBFLAGS = -rcuv
+ diagq.o:
+ ${F77} ${F77FLAGS} -ffast-math diagq.f
+
#################################################################
## Should not be Necessary to Change Things Below this Point ##
#################################################################
***************
*** 766,771 ****
--- 791,797 ----
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
--- 883,932 ----
${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
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