--- make/Makefile.orig 2024-05-04 16:08:28 UTC +++ make/Makefile @@ -68,7 +68,7 @@ F77FLAGS = -c F77 = gfortran F77FLAGS = -c -OPTFLAGS = -Ofast -march=native -fopenmp +OPTFLAGS = -Ofast $(PORT_SIMD_FLAGS) -fopenmp OPTFLAGS = -Ofast -fopenmp OPTFLAGS = -Og -g -fbacktrace -fcheck=bounds -Wunused -Wmaybe-uninitialized LIBDIR = -L. -L$(TINKER_LIBDIR)/linux -Wl,--no-as-needed -ldl @@ -829,138 +829,138 @@ rename_bin: cat *.f *.c > tinker.txt rename_bin: - mv alchemy.x $(BINDIR)/alchemy - mv analyze.x $(BINDIR)/analyze - mv anneal.x $(BINDIR)/anneal - mv arcedit.x $(BINDIR)/arcedit - mv bar.x $(BINDIR)/bar - mv correlate.x $(BINDIR)/correlate - mv critical.x $(BINDIR)/critical - 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 - mv freefix.x $(BINDIR)/freefix - 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 minrigid.x $(BINDIR)/minrigid - mv mol2xyz.x $(BINDIR)/mol2xyz - mv molxyz.x $(BINDIR)/molxyz - mv monte.x $(BINDIR)/monte - 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 - mv path.x $(BINDIR)/path - mv pdbxyz.x $(BINDIR)/pdbxyz - mv polarize.x $(BINDIR)/polarize - mv poledit.x $(BINDIR)/poledit - mv potential.x $(BINDIR)/potential - mv prmedit.x $(BINDIR)/prmedit - mv protein.x $(BINDIR)/protein - 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 testgrad.x $(BINDIR)/testgrad - mv testhess.x $(BINDIR)/testhess - mv testpair.x $(BINDIR)/testpair - mv testpol.x $(BINDIR)/testpol - mv testrot.x $(BINDIR)/testrot - mv testsurf.x $(BINDIR)/testsurf - mv testvir.x $(BINDIR)/testvir - mv timer.x $(BINDIR)/timer - mv timerot.x $(BINDIR)/timerot - mv torsfit.x $(BINDIR)/torsfit - mv valence.x $(BINDIR)/valence - mv vibbig.x $(BINDIR)/vibbig - 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 xyzmol2.x $(BINDIR)/xyzmol2 - mv xyzpdb.x $(BINDIR)/xyzpdb + ${BSD_INSTALL_PROGRAM} alchemy.x $(BINDIR)/alchemy + ${BSD_INSTALL_PROGRAM} analyze.x $(BINDIR)/analyze + ${BSD_INSTALL_PROGRAM} anneal.x $(BINDIR)/anneal + ${BSD_INSTALL_PROGRAM} arcedit.x $(BINDIR)/arcedit + ${BSD_INSTALL_PROGRAM} bar.x $(BINDIR)/bar + ${BSD_INSTALL_PROGRAM} correlate.x $(BINDIR)/correlate + ${BSD_INSTALL_PROGRAM} critical.x $(BINDIR)/critical + ${BSD_INSTALL_PROGRAM} crystal.x $(BINDIR)/crystal + ${BSD_INSTALL_PROGRAM} diffuse.x $(BINDIR)/diffuse + ${BSD_INSTALL_PROGRAM} distgeom.x $(BINDIR)/distgeom + ${BSD_INSTALL_PROGRAM} document.x $(BINDIR)/document + ${BSD_INSTALL_PROGRAM} dynamic.x $(BINDIR)/dynamic + ${BSD_INSTALL_PROGRAM} freefix.x $(BINDIR)/freefix + ${BSD_INSTALL_PROGRAM} gda.x $(BINDIR)/gda + ${BSD_INSTALL_PROGRAM} intedit.x $(BINDIR)/intedit + ${BSD_INSTALL_PROGRAM} intxyz.x $(BINDIR)/intxyz + ${BSD_INSTALL_PROGRAM} minimize.x $(BINDIR)/minimize + ${BSD_INSTALL_PROGRAM} minirot.x $(BINDIR)/minirot + ${BSD_INSTALL_PROGRAM} minrigid.x $(BINDIR)/minrigid + ${BSD_INSTALL_PROGRAM} mol2xyz.x $(BINDIR)/mol2xyz + ${BSD_INSTALL_PROGRAM} molxyz.x $(BINDIR)/molxyz + ${BSD_INSTALL_PROGRAM} monte.x $(BINDIR)/monte + ${BSD_INSTALL_PROGRAM} newton.x $(BINDIR)/newton + ${BSD_INSTALL_PROGRAM} newtrot.x $(BINDIR)/newtrot + ${BSD_INSTALL_PROGRAM} nucleic.x $(BINDIR)/nucleic + ${BSD_INSTALL_PROGRAM} optimize.x $(BINDIR)/optimize + ${BSD_INSTALL_PROGRAM} optirot.x $(BINDIR)/optirot + ${BSD_INSTALL_PROGRAM} optrigid.x $(BINDIR)/optrigid + ${BSD_INSTALL_PROGRAM} path.x $(BINDIR)/path + ${BSD_INSTALL_PROGRAM} pdbxyz.x $(BINDIR)/pdbxyz + ${BSD_INSTALL_PROGRAM} polarize.x $(BINDIR)/polarize + ${BSD_INSTALL_PROGRAM} poledit.x $(BINDIR)/poledit + ${BSD_INSTALL_PROGRAM} potential.x $(BINDIR)/potential + ${BSD_INSTALL_PROGRAM} prmedit.x $(BINDIR)/prmedit + ${BSD_INSTALL_PROGRAM} protein.x $(BINDIR)/protein + ${BSD_INSTALL_PROGRAM} pss.x $(BINDIR)/pss + ${BSD_INSTALL_PROGRAM} pssrigid.x $(BINDIR)/pssrigid + ${BSD_INSTALL_PROGRAM} pssrot.x $(BINDIR)/pssrot + ${BSD_INSTALL_PROGRAM} radial.x $(BINDIR)/radial + ${BSD_INSTALL_PROGRAM} saddle.x $(BINDIR)/saddle + ${BSD_INSTALL_PROGRAM} scan.x $(BINDIR)/scan + ${BSD_INSTALL_PROGRAM} sniffer.x $(BINDIR)/sniffer + ${BSD_INSTALL_PROGRAM} spacefill.x $(BINDIR)/spacefill + ${BSD_INSTALL_PROGRAM} spectrum.x $(BINDIR)/spectrum + ${BSD_INSTALL_PROGRAM} superpose.x $(BINDIR)/superpose + ${BSD_INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad + ${BSD_INSTALL_PROGRAM} testhess.x $(BINDIR)/testhess + ${BSD_INSTALL_PROGRAM} testpair.x $(BINDIR)/testpair + ${BSD_INSTALL_PROGRAM} testpol.x $(BINDIR)/testpol + ${BSD_INSTALL_PROGRAM} testrot.x $(BINDIR)/testrot + ${BSD_INSTALL_PROGRAM} testsurf.x $(BINDIR)/testsurf + ${BSD_INSTALL_PROGRAM} testvir.x $(BINDIR)/testvir + ${BSD_INSTALL_PROGRAM} timer.x $(BINDIR)/timer + ${BSD_INSTALL_PROGRAM} timerot.x $(BINDIR)/timerot + ${BSD_INSTALL_PROGRAM} torsfit.x $(BINDIR)/torsfit + ${BSD_INSTALL_PROGRAM} valence.x $(BINDIR)/valence + ${BSD_INSTALL_PROGRAM} vibbig.x $(BINDIR)/vibbig + ${BSD_INSTALL_PROGRAM} vibrate.x $(BINDIR)/vibrate + ${BSD_INSTALL_PROGRAM} vibrot.x $(BINDIR)/vibrot + ${BSD_INSTALL_PROGRAM} xtalfit.x $(BINDIR)/xtalfit + ${BSD_INSTALL_PROGRAM} xtalmin.x $(BINDIR)/xtalmin + ${BSD_INSTALL_PROGRAM} xyzedit.x $(BINDIR)/xyzedit + ${BSD_INSTALL_PROGRAM} xyzint.x $(BINDIR)/xyzint + ${BSD_INSTALL_PROGRAM} xyzmol2.x $(BINDIR)/xyzmol2 + ${BSD_INSTALL_PROGRAM} xyzpdb.x $(BINDIR)/xyzpdb rename_exe: - mv alchemy.x $(BINDIR)/alchemy.exe - mv analyze.x $(BINDIR)/analyze.exe - mv anneal.x $(BINDIR)/anneal.exe - mv arcedit.x $(BINDIR)/arcedit.exe - mv bar.x $(BINDIR)/bar.exe - mv correlate.x $(BINDIR)/correlate.exe - mv critical.x $(BINDIR)/critical.exe - mv crystal.x $(BINDIR)/crystal.exe - mv diffuse.x $(BINDIR)/diffuse.exe - mv distgeom.x $(BINDIR)/distgeom.exe - mv document.x $(BINDIR)/document.exe - mv dynamic.x $(BINDIR)/dynamic.exe - mv freefix.x $(BINDIR)/freefix.exe - mv gda.x $(BINDIR)/gda.exe - mv intedit.x $(BINDIR)/intedit.exe - mv intxyz.x $(BINDIR)/intxyz.exe - mv minimize.x $(BINDIR)/minimize.exe - mv minirot.x $(BINDIR)/minirot.exe - mv minrigid.x $(BINDIR)/minrigid.exe - mv mol2xyz.x $(BINDIR)/mol2xyz.exe - mv molxyz.x $(BINDIR)/molxyz.exe - mv monte.x $(BINDIR)/monte.exe - mv newton.x $(BINDIR)/newton.exe - mv newtrot.x $(BINDIR)/newtrot.exe - mv nucleic.x $(BINDIR)/nucleic.exe - mv optimize.x $(BINDIR)/optimize.exe - mv optirot.x $(BINDIR)/optirot.exe - mv optrigid.x $(BINDIR)/optrigid.exe - mv path.x $(BINDIR)/path.exe - mv pdbxyz.x $(BINDIR)/pdbxyz.exe - mv polarize.x $(BINDIR)/polarize.exe - mv poledit.x $(BINDIR)/poledit.exe - mv potential.x $(BINDIR)/potential.exe - mv prmedit.x $(BINDIR)/prmedit.exe - mv protein.x $(BINDIR)/protein.exe - mv pss.x $(BINDIR)/pss.exe - mv pssrigid.x $(BINDIR)/pssrigid.exe - mv pssrot.x $(BINDIR)/pssrot.exe - mv radial.x $(BINDIR)/radial.exe - mv saddle.x $(BINDIR)/saddle.exe - mv scan.x $(BINDIR)/scan.exe - mv sniffer.x $(BINDIR)/sniffer.exe - mv spacefill.x $(BINDIR)/spacefill.exe - mv spectrum.x $(BINDIR)/spectrum.exe - mv superpose.x $(BINDIR)/superpose.exe - mv testgrad.x $(BINDIR)/testgrad.exe - mv testhess.x $(BINDIR)/testhess.exe - mv testpair.x $(BINDIR)/testpair.exe - mv testpol.x $(BINDIR)/testpol.exe - mv testrot.x $(BINDIR)/testrot.exe - mv testsurf.x $(BINDIR)/testsurf.exe - mv testvir.x $(BINDIR)/testvir.exe - mv timer.x $(BINDIR)/timer.exe - mv timerot.x $(BINDIR)/timerot.exe - mv torsfit.x $(BINDIR)/torsfit.exe - mv valence.x $(BINDIR)/valence.exe - mv vibbig.x $(BINDIR)/vibbig.exe - mv vibrate.x $(BINDIR)/vibrate.exe - mv vibrot.x $(BINDIR)/vibrot.exe - mv xtalfit.x $(BINDIR)/xtalfit.exe - mv xtalmin.x $(BINDIR)/xtalmin.exe - mv xyzedit.x $(BINDIR)/xyzedit.exe - mv xyzint.x $(BINDIR)/xyzint.exe - mv xyzmol2.x $(BINDIR)/xyzmol2.exe - mv xyzpdb.x $(BINDIR)/xyzpdb.exe + ${BSD_INSTALL_PROGRAM} alchemy.x $(BINDIR)/alchemy.exe + ${BSD_INSTALL_PROGRAM} analyze.x $(BINDIR)/analyze.exe + ${BSD_INSTALL_PROGRAM} anneal.x $(BINDIR)/anneal.exe + ${BSD_INSTALL_PROGRAM} arcedit.x $(BINDIR)/arcedit.exe + ${BSD_INSTALL_PROGRAM} bar.x $(BINDIR)/bar.exe + ${BSD_INSTALL_PROGRAM} correlate.x $(BINDIR)/correlate.exe + ${BSD_INSTALL_PROGRAM} critical.x $(BINDIR)/critical.exe + ${BSD_INSTALL_PROGRAM} crystal.x $(BINDIR)/crystal.exe + ${BSD_INSTALL_PROGRAM} diffuse.x $(BINDIR)/diffuse.exe + ${BSD_INSTALL_PROGRAM} distgeom.x $(BINDIR)/distgeom.exe + ${BSD_INSTALL_PROGRAM} document.x $(BINDIR)/document.exe + ${BSD_INSTALL_PROGRAM} dynamic.x $(BINDIR)/dynamic.exe + ${BSD_INSTALL_PROGRAM} freefix.x $(BINDIR)/freefix.exe + ${BSD_INSTALL_PROGRAM} gda.x $(BINDIR)/gda.exe + ${BSD_INSTALL_PROGRAM} intedit.x $(BINDIR)/intedit.exe + ${BSD_INSTALL_PROGRAM} intxyz.x $(BINDIR)/intxyz.exe + ${BSD_INSTALL_PROGRAM} minimize.x $(BINDIR)/minimize.exe + ${BSD_INSTALL_PROGRAM} minirot.x $(BINDIR)/minirot.exe + ${BSD_INSTALL_PROGRAM} minrigid.x $(BINDIR)/minrigid.exe + ${BSD_INSTALL_PROGRAM} mol2xyz.x $(BINDIR)/mol2xyz.exe + ${BSD_INSTALL_PROGRAM} molxyz.x $(BINDIR)/molxyz.exe + ${BSD_INSTALL_PROGRAM} monte.x $(BINDIR)/monte.exe + ${BSD_INSTALL_PROGRAM} newton.x $(BINDIR)/newton.exe + ${BSD_INSTALL_PROGRAM} newtrot.x $(BINDIR)/newtrot.exe + ${BSD_INSTALL_PROGRAM} nucleic.x $(BINDIR)/nucleic.exe + ${BSD_INSTALL_PROGRAM} optimize.x $(BINDIR)/optimize.exe + ${BSD_INSTALL_PROGRAM} optirot.x $(BINDIR)/optirot.exe + ${BSD_INSTALL_PROGRAM} optrigid.x $(BINDIR)/optrigid.exe + ${BSD_INSTALL_PROGRAM} path.x $(BINDIR)/path.exe + ${BSD_INSTALL_PROGRAM} pdbxyz.x $(BINDIR)/pdbxyz.exe + ${BSD_INSTALL_PROGRAM} polarize.x $(BINDIR)/polarize.exe + ${BSD_INSTALL_PROGRAM} poledit.x $(BINDIR)/poledit.exe + ${BSD_INSTALL_PROGRAM} potential.x $(BINDIR)/potential.exe + ${BSD_INSTALL_PROGRAM} prmedit.x $(BINDIR)/prmedit.exe + ${BSD_INSTALL_PROGRAM} protein.x $(BINDIR)/protein.exe + ${BSD_INSTALL_PROGRAM} pss.x $(BINDIR)/pss.exe + ${BSD_INSTALL_PROGRAM} pssrigid.x $(BINDIR)/pssrigid.exe + ${BSD_INSTALL_PROGRAM} pssrot.x $(BINDIR)/pssrot.exe + ${BSD_INSTALL_PROGRAM} radial.x $(BINDIR)/radial.exe + ${BSD_INSTALL_PROGRAM} saddle.x $(BINDIR)/saddle.exe + ${BSD_INSTALL_PROGRAM} scan.x $(BINDIR)/scan.exe + ${BSD_INSTALL_PROGRAM} sniffer.x $(BINDIR)/sniffer.exe + ${BSD_INSTALL_PROGRAM} spacefill.x $(BINDIR)/spacefill.exe + ${BSD_INSTALL_PROGRAM} spectrum.x $(BINDIR)/spectrum.exe + ${BSD_INSTALL_PROGRAM} superpose.x $(BINDIR)/superpose.exe + ${BSD_INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad.exe + ${BSD_INSTALL_PROGRAM} testhess.x $(BINDIR)/testhess.exe + ${BSD_INSTALL_PROGRAM} testpair.x $(BINDIR)/testpair.exe + ${BSD_INSTALL_PROGRAM} testpol.x $(BINDIR)/testpol.exe + ${BSD_INSTALL_PROGRAM} testrot.x $(BINDIR)/testrot.exe + ${BSD_INSTALL_PROGRAM} testsurf.x $(BINDIR)/testsurf.exe + ${BSD_INSTALL_PROGRAM} testvir.x $(BINDIR)/testvir.exe + ${BSD_INSTALL_PROGRAM} timer.x $(BINDIR)/timer.exe + ${BSD_INSTALL_PROGRAM} timerot.x $(BINDIR)/timerot.exe + ${BSD_INSTALL_PROGRAM} torsfit.x $(BINDIR)/torsfit.exe + ${BSD_INSTALL_PROGRAM} valence.x $(BINDIR)/valence.exe + ${BSD_INSTALL_PROGRAM} vibbig.x $(BINDIR)/vibbig.exe + ${BSD_INSTALL_PROGRAM} vibrate.x $(BINDIR)/vibrate.exe + ${BSD_INSTALL_PROGRAM} vibrot.x $(BINDIR)/vibrot.exe + ${BSD_INSTALL_PROGRAM} xtalfit.x $(BINDIR)/xtalfit.exe + ${BSD_INSTALL_PROGRAM} xtalmin.x $(BINDIR)/xtalmin.exe + ${BSD_INSTALL_PROGRAM} xyzedit.x $(BINDIR)/xyzedit.exe + ${BSD_INSTALL_PROGRAM} xyzint.x $(BINDIR)/xyzint.exe + ${BSD_INSTALL_PROGRAM} xyzmol2.x $(BINDIR)/xyzmol2.exe + ${BSD_INSTALL_PROGRAM} xyzpdb.x $(BINDIR)/xyzpdb.exe remove_links: rm -f $(LINKDIR)/alchemy