diff -Naur NAMD_2.9_Source.original/Make.charm NAMD_2.9_Source/Make.charm --- NAMD_2.9_Source.original/Make.charm 2012-02-29 19:12:11.000000000 -0700 +++ NAMD_2.9_Source/Make.charm 2013-09-13 21:23:26.000000000 -0600 @@ -2,5 +2,5 @@ # The config script will override this setting if there is a directory # called charm-6.4.0 or charm in the NAMD base directory. -CHARMBASE = /Projects/namd2/charm-6.4.0 +CHARMBASE = /usr/include/charm-6.4.0 diff -Naur NAMD_2.9_Source.original/Makefile NAMD_2.9_Source/Makefile --- NAMD_2.9_Source.original/Makefile 2012-04-27 09:53:24.000000000 -0600 +++ NAMD_2.9_Source/Makefile 2013-09-13 21:30:15.000000000 -0600 @@ -344,10 +344,10 @@ $(DSTDIR)/stringhash.o # definitions for Charm routines -CHARMC = $(CHARM)/bin/charmc -CHARMXI = $(CHARM)/bin/charmc -CHARMINC = $(CHARM)/include $(COPTD)CMK_OPTIMIZE=1 -CHARMLIB = $(CHARM)/lib +CHARMC = /usr/bin/charmc +CHARMXI = /usr/bin/charmc +CHARMINC = /usr/include/gentoo-charm $(COPTD)CMK_OPTIMIZE=1 +CHARMLIB = /usr/gentoo-libdir CHARM_MODULES = -module NeighborLB -module HybridLB -module RefineLB -module GreedyLB #CHARM_MODULES = -module msa -module NeighborLB -module HybridLB -module RefineLB -module GreedyLB #MSA = -DCHARM_HAS_MSA @@ -370,7 +370,7 @@ # Add new executables here. -BINARIES = namd2 psfgen sortreplicas charmrun flipdcd flipbinpdb +BINARIES = namd2 psfgen sortreplicas flipdcd flipbinpdb # This should be rebuilt at every compile, but not on Win32. BUILDINFO = $(DSTDIR)/buildinfo @@ -386,7 +386,7 @@ namd2: $(MKINCDIR) $(MKDSTDIR) $(OBJS) $(LIBS) $(MAKEBUILDINFO) - $(CHARMC) -verbose -ld++-option \ + $(CHARMC) $(LDFLAGS) -verbose -ld++-option \ "$(COPTI)$(CHARMINC) $(COPTI)$(INCDIR) $(COPTI)$(SRCDIR) $(CXXOPTS)" \ "$(CHARM_MODULES)" -language charm++ \ $(BUILDINFO).o \ @@ -402,16 +402,9 @@ $(EXTRALINKLIBS) \ -lm -o namd2 -charmrun: $(CHARM)/bin/charmrun # XXX - $(COPY) $(CHARM)/bin/charmrun $@ - $(LIBCUDARTSO): $(COPY) $(CUDASODIR)/$(LIBCUDARTSO) $@; -WINDOWSBINARIES = namd2.exe psfgen.exe sortreplicas.exe -# WINDOWSBINARIES = namd2.exe psfgen.exe charmd.exe charmd_faceless.exe charmrun.exe -windowsbinaries: $(WINDOWSBINARIES) - namd2.exe: $(MKINCDIR) $(MKDSTDIR) $(OBJS) $(LIBS) $(TCLDLL) $(MAKEBUILDINFO) $(CHARMC) -verbose \ @@ -434,11 +427,8 @@ charmd_faceless.exe: $(COPY) $(CHARM)/bin/charmd_faceless.exe charmd_faceless.exe -charmrun.exe: - $(COPY) $(CHARM)/bin/charmrun.exe charmrun.exe - psfgen: $(MKDSTDIR) $(SBOBJS) $(PLUGINOBJS) - $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm + $(CC) $(SBCFLAGS) $(LDFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm psfgen.exe: $(MKDSTDIR) $(SBOBJS) $(PLUGINOBJS) $(TCLDLL) $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm @@ -456,7 +446,7 @@ $(CC) $(CFLAGS) -o diffbinpdb $(SRCDIR)/diffbinpdb.c -lm flipdcd: $(SRCDIR)/flipdcd.c - $(CC) $(CFLAGS) -o $@ $(SRCDIR)/flipdcd.c || \ + $(CC) $(CFLAGS) $(LDFLAGS) -o $@ $(SRCDIR)/flipdcd.c || \ echo "#!/bin/sh\necho unavailable on this platform" > $@; \ chmod +x $@ @@ -466,7 +456,7 @@ chmod +x $@ fixdcd: $(SRCDIR)/fixdcd.c - $(CC) $(CFLAGS) -o fixdcd $(SRCDIR)/fixdcd.c + $(CC) $(CFLAGS) $(LDFLAGS) -o fixdcd $(SRCDIR)/fixdcd.c dumpdcd: $(SRCDIR)/dumpdcd.c $(CC) $(CFLAGS) -o dumpdcd $(SRCDIR)/dumpdcd.c @@ -665,9 +655,7 @@ DOC_FILES = README.txt announce.txt license.txt notes.txt -RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb sortreplicas psfgen charmrun namd2 - -WINDOWS_RELEASE_FILES = $(LIBCUDARTSO) $(WINDOWSBINARIES) $(TCLDLL) +RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb sortreplicas psfgen namd2 release: all $(ECHO) Creating release $(RELEASE_DIR_NAME) @@ -678,17 +666,9 @@ for f in `find $(RELEASE_DIR_NAME)/lib -name CVS`; do \ /bin/rm -rf $$f; \ done - if [ -r $(CHARM)/bin/charmd ]; then \ - $(COPY) $(CHARM)/bin/charmd $(RELEASE_DIR_NAME); \ - fi - if [ -r $(CHARM)/bin/charmd_faceless ]; then \ - $(COPY) $(CHARM)/bin/charmd_faceless $(RELEASE_DIR_NAME); \ - fi chmod -R a+rX $(RELEASE_DIR_NAME) tar cf $(RELEASE_DIR_NAME).tar $(RELEASE_DIR_NAME) gzip $(RELEASE_DIR_NAME).tar - echo $(CHARM) - ls -l $(CHARM)/lib -for f in $(RELEASE_FILES); do echo $$f; $(LDD) $(RELEASE_DIR_NAME)/$$f; done winrelease: winall diff -Naur NAMD_2.9_Source.original/arch/Linux-x86_64.fftw NAMD_2.9_Source/arch/Linux-x86_64.fftw --- NAMD_2.9_Source.original/arch/Linux-x86_64.fftw 2009-02-21 21:16:04.000000000 -0700 +++ NAMD_2.9_Source/arch/Linux-x86_64.fftw 2013-09-13 20:55:02.000000000 -0600 @@ -1,7 +1,7 @@ -FFTDIR=/Projects/namd2/fftw/linux-x86_64 +FFTDIR=/usr FFTINCL=-I$(FFTDIR)/include -FFTLIB=-L$(FFTDIR)/lib -lsrfftw -lsfftw +FFTLIB=-L$(FFTDIR)/gentoo-libdir -lsrfftw -lsfftw FFTFLAGS=-DNAMD_FFTW FFT=$(FFTINCL) $(FFTFLAGS) diff -Naur NAMD_2.9_Source.original/arch/Linux-x86_64.tcl NAMD_2.9_Source/arch/Linux-x86_64.tcl --- NAMD_2.9_Source.original/arch/Linux-x86_64.tcl 2011-06-17 14:38:43.000000000 -0600 +++ NAMD_2.9_Source/arch/Linux-x86_64.tcl 2013-09-13 20:56:30.000000000 -0600 @@ -1,9 +1,9 @@ #TCLDIR=/Projects/namd2/tcl/tcl8.5.9-linux-x86_64 -TCLDIR=/Projects/namd2/tcl/tcl8.5.9-linux-x86_64-threaded +TCLDIR=/usr TCLINCL=-I$(TCLDIR)/include #TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -lpthread +TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread TCLFLAGS=-DNAMD_TCL TCL=$(TCLINCL) $(TCLFLAGS)