freebsd-ports/biology/tinker/files/patch-aa

*** ../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