diff options
Diffstat (limited to 'biology/tinker/files/patch-aa')
| -rw-r--r-- | biology/tinker/files/patch-aa | 416 |
1 files changed, 191 insertions, 225 deletions
diff --git a/biology/tinker/files/patch-aa b/biology/tinker/files/patch-aa index fecd6d99f52c..aa842b867c34 100644 --- a/biology/tinker/files/patch-aa +++ b/biology/tinker/files/patch-aa @@ -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 08:23:04 1999 ++++ ../make/Makefile Tue Jun 22 17:13:26 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_PROGRAM} alchemy.x $(BINDIR)/alchemy ++ ${INSTALL_PROGRAM} analyze.x $(BINDIR)/analyze ++ ${INSTALL_PROGRAM} anneal.x $(BINDIR)/anneal ++ ${INSTALL_PROGRAM} archive.x $(BINDIR)/archive ++ ${INSTALL_PROGRAM} correlate.x $(BINDIR)/correlate ++ ${INSTALL_PROGRAM} crystal.x $(BINDIR)/crystal ++ ${INSTALL_PROGRAM} distgeom.x $(BINDIR)/distgeom ++ ${INSTALL_PROGRAM} document.x $(BINDIR)/document ++ ${INSTALL_PROGRAM} dynamic.x $(BINDIR)/dynamic ++ ${INSTALL_PROGRAM} gda.x $(BINDIR)/gda ++ ${INSTALL_PROGRAM} intedit.x $(BINDIR)/intedit ++ ${INSTALL_PROGRAM} intxyz.x $(BINDIR)/intxyz ++ ${INSTALL_PROGRAM} minimize.x $(BINDIR)/minimize ++ ${INSTALL_PROGRAM} minirot.x $(BINDIR)/minirot ++ ${INSTALL_PROGRAM} newton.x $(BINDIR)/newton ++ ${INSTALL_PROGRAM} newtrot.x $(BINDIR)/newtrot ++ ${INSTALL_PROGRAM} optimize.x $(BINDIR)/optimize ++ ${INSTALL_PROGRAM} optirot.x $(BINDIR)/optirot ++ ${INSTALL_PROGRAM} optrigid.x $(BINDIR)/optrigid ++ ${INSTALL_PROGRAM} path.x $(BINDIR)/path ++ ${INSTALL_PROGRAM} pdbxyz.x $(BINDIR)/pdbxyz ++ ${INSTALL_PROGRAM} protein.x $(BINDIR)/protein ++ ${INSTALL_PROGRAM} pss.x $(BINDIR)/pss ++ ${INSTALL_PROGRAM} pssrigid.x $(BINDIR)/pssrigid ++ ${INSTALL_PROGRAM} pssrot.x $(BINDIR)/pssrot ++ ${INSTALL_PROGRAM} saddle.x $(BINDIR)/saddle ++ ${INSTALL_PROGRAM} scan.x $(BINDIR)/scan ++ ${INSTALL_PROGRAM} sniffer.x $(BINDIR)/sniffer ++ ${INSTALL_PROGRAM} spacefill.x $(BINDIR)/spacefill ++ ${INSTALL_PROGRAM} superpose.x $(BINDIR)/superpose ++ ${INSTALL_PROGRAM} sybylxyz.x $(BINDIR)/sybylxyz ++ ${INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad ++ ${INSTALL_PROGRAM} testhess.x $(BINDIR)/testhess ++ ${INSTALL_PROGRAM} testlight.x $(BINDIR)/testlight ++ ${INSTALL_PROGRAM} testrot.x $(BINDIR)/testrot ++ ${INSTALL_PROGRAM} timer.x $(BINDIR)/timer ++ ${INSTALL_PROGRAM} timerot.x $(BINDIR)/timerot ++ ${INSTALL_PROGRAM} vibrate.x $(BINDIR)/vibrate ++ ${INSTALL_PROGRAM} vibrot.x $(BINDIR)/vibrot ++ ${INSTALL_PROGRAM} xtalfit.x $(BINDIR)/xtalfit ++ ${INSTALL_PROGRAM} xtalmin.x $(BINDIR)/xtalmin ++ ${INSTALL_PROGRAM} xyzedit.x $(BINDIR)/xyzedit ++ ${INSTALL_PROGRAM} xyzint.x $(BINDIR)/xyzint ++ ${INSTALL_PROGRAM} xyzpdb.x $(BINDIR)/xyzpdb ++ ${INSTALL_PROGRAM} xyzsybyl.x $(BINDIR)/xyzsybyl + + remove_links: + rm -f $(LINKDIR)/alchemy |