diff options
Diffstat (limited to 'biology/tinker/files/patch-aa')
| -rw-r--r-- | biology/tinker/files/patch-aa | 97 |
1 files changed, 59 insertions, 38 deletions
diff --git a/biology/tinker/files/patch-aa b/biology/tinker/files/patch-aa index 526ce65e518c..0d3f17e2ce38 100644 --- a/biology/tinker/files/patch-aa +++ b/biology/tinker/files/patch-aa @@ -1,5 +1,5 @@ ---- ../make/Makefile.orig Mon Jul 12 10:56:36 1999 -+++ ../make/Makefile Wed May 31 16:00:31 2000 +--- ../make/Makefile.orig Mon Jan 15 12:39:52 2001 ++++ ../make/Makefile Mon Jan 15 15:48:37 2001 @@ -9,8 +9,8 @@ ## ## 1. make all Build all the TINKER executables @@ -24,41 +24,36 @@ #################################################################### ## Known Machine Types; Uncomment One of the Following Sections ## -@@ -45,13 +45,13 @@ - ## Compiler: DEC Fortran 77/90, V4.1 +@@ -87,12 +87,12 @@ + ## Compiler: GNU g77 ## --F77 = /usr/bin/f77 --RM = /sbin/rm +-F77 = /usr/bin/g77 -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 +-OPTFLAGS = -O3 -ffast-math +-LIBFLAGS = -crusv +-LINKFLAGS = ++#F77 = /usr/bin/g77 +#LIBS = +#F77FLAGS = -c -+#OPTFLAGS = -fast -tune host -+#LIBFLAGS = -rlv -+#LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched ++#OPTFLAGS = -O3 -ffast-math ++#LIBFLAGS = -crusv ++#LINKFLAGS = ## - ## Machine: Silicon Graphics -@@ -104,6 +104,40 @@ - #diagq.o: - # ${F77} ${F77FLAGS} -ffast-math diagq.f + ## Machine: IntelPC / Linux +@@ -108,6 +108,35 @@ + #LIBFLAGS = -crusv + #LINKFLAGS = +## -+## Machine: IntelPC -+## CPU Type: Pentium Pro -+## Oper Sys: FreeBSD 3.0 -+## Compiler: f77(f2c/gcc version 2.7.2.1) || egcs g77 -+## ++## Machine: IntelPC / FreeBSD ++## CPU Type: Intel, AMD, Cyrix ++## Oper Sys: FreeBSD 4.2 ++## Compiler: f77 , aka g77 + +F77 = ${FC} -+RM = /bin/rm -+ +.if ${FC}==f77 +.if !defined(HAVE_G2C) +LIBS = -lU77 @@ -70,32 +65,38 @@ +LINKFLAGS = +.endif +.elseif ${FC}==g77 -+LIBS= ++LIBS = +F77FLAGS = -Wno-globals -fno-globals -c -w +LINKFLAGS = +.endif + +OPTFLAGS = ${FFLAGS} -ffast-math +.if ${MACHINE_ARCH} == "i386" -+OPTFLAGS+= -malign-double ++OPTFLAGS += -malign-double +.endif +LIBFLAGS = -rcuv -+diagq.o: -+ ${F77} ${F77FLAGS} -ffast-math diagq.f + ################################################################# ## Should not be Necessary to Change Things Below this Point ## ################################################################# -@@ -775,6 +809,7 @@ - volume2.o \ - writeout.o \ - xyzatm.o -+ ranlib libtinker.a +@@ -486,11 +515,13 @@ + xyzpdb.x \ + xyzsybyl.x + ++.SUFFIXES: .x ++ + .f.o: + ${F77} ${F77FLAGS} ${OPTFLAGS} $*.f + +-%.x: %.o libtinker.a +- ${F77} ${LINKFLAGS} -o $@ $^ ${LIBS} ++.o.x: libtinker.a ++ ${F77} ${LINKFLAGS} -o $@ $< libtinker.a ${LIBS} + + all: ${EXEFILES} - alchemy.x: - ${F77} ${LINKFLAGS} -o alchemy.x alchemy.o libtinker.a ${LIBS} -@@ -868,51 +903,51 @@ - ${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS} +@@ -501,56 +532,56 @@ + cat *.i *.f > tinker.txt rename: - mv alchemy.x $(BINDIR)/alchemy @@ -104,6 +105,7 @@ - mv archive.x $(BINDIR)/archive - mv correlate.x $(BINDIR)/correlate - mv crystal.x $(BINDIR)/crystal +- mv diffuse.x $(BINDIR)/diffuse - mv distgeom.x $(BINDIR)/distgeom - mv document.x $(BINDIR)/document - mv dynamic.x $(BINDIR)/dynamic @@ -112,8 +114,10 @@ - mv intxyz.x $(BINDIR)/intxyz - mv minimize.x $(BINDIR)/minimize - mv minirot.x $(BINDIR)/minirot +- mv minrigid.x $(BINDIR)/minrigid - mv newton.x $(BINDIR)/newton - mv newtrot.x $(BINDIR)/newtrot +- mv nucleic.x $(BINDIR)/nucleic - mv optimize.x $(BINDIR)/optimize - mv optirot.x $(BINDIR)/optirot - mv optrigid.x $(BINDIR)/optrigid @@ -123,10 +127,12 @@ - mv pss.x $(BINDIR)/pss - mv pssrigid.x $(BINDIR)/pssrigid - mv pssrot.x $(BINDIR)/pssrot +- mv radial.x $(BINDIR)/radial - mv saddle.x $(BINDIR)/saddle - mv scan.x $(BINDIR)/scan - mv sniffer.x $(BINDIR)/sniffer - mv spacefill.x $(BINDIR)/spacefill +- mv spectrum.x $(BINDIR)/spectrum - mv superpose.x $(BINDIR)/superpose - mv sybylxyz.x $(BINDIR)/sybylxyz - mv testgrad.x $(BINDIR)/testgrad @@ -149,6 +155,7 @@ + ${INSTALL_PROGRAM} archive.x $(BINDIR)/archive + ${INSTALL_PROGRAM} correlate.x $(BINDIR)/correlate + ${INSTALL_PROGRAM} crystal.x $(BINDIR)/crystal ++ ${INSTALL_PROGRAM} diffuse.x $(BINDIR)/diffuse + ${INSTALL_PROGRAM} distgeom.x $(BINDIR)/distgeom + ${INSTALL_PROGRAM} document.x $(BINDIR)/document + ${INSTALL_PROGRAM} dynamic.x $(BINDIR)/dynamic @@ -157,8 +164,10 @@ + ${INSTALL_PROGRAM} intxyz.x $(BINDIR)/intxyz + ${INSTALL_PROGRAM} minimize.x $(BINDIR)/minimize + ${INSTALL_PROGRAM} minirot.x $(BINDIR)/minirot ++ ${INSTALL_PROGRAM} minrigid.x $(BINDIR)/minrigid + ${INSTALL_PROGRAM} newton.x $(BINDIR)/newton + ${INSTALL_PROGRAM} newtrot.x $(BINDIR)/newtrot ++ ${INSTALL_PROGRAM} nucleic.x $(BINDIR)/nucleic + ${INSTALL_PROGRAM} optimize.x $(BINDIR)/optimize + ${INSTALL_PROGRAM} optirot.x $(BINDIR)/optirot + ${INSTALL_PROGRAM} optrigid.x $(BINDIR)/optrigid @@ -168,10 +177,12 @@ + ${INSTALL_PROGRAM} pss.x $(BINDIR)/pss + ${INSTALL_PROGRAM} pssrigid.x $(BINDIR)/pssrigid + ${INSTALL_PROGRAM} pssrot.x $(BINDIR)/pssrot ++ ${INSTALL_PROGRAM} radial.x $(BINDIR)/radial + ${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} spectrum.x $(BINDIR)/spectrum + ${INSTALL_PROGRAM} superpose.x $(BINDIR)/superpose + ${INSTALL_PROGRAM} sybylxyz.x $(BINDIR)/sybylxyz + ${INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad @@ -191,3 +202,13 @@ remove_links: rm -f $(LINKDIR)/alchemy +@@ -671,8 +702,8 @@ + bspline.o \ + calendar.o \ + center.o \ +- chkxyz.o \ + cholesky.o \ ++ chkxyz.o \ + clock.o \ + cluster.o \ + column.o \ |