diff -aurN NAMD_2.6_Source-orig/Makefile NAMD_2.6_Source/Makefile --- NAMD_2.6_Source-orig/Makefile 2007-08-24 13:35:35.659265380 -0500 +++ NAMD_2.6_Source/Makefile 2007-08-24 13:42:09.933733803 -0500 @@ -232,10 +232,10 @@ $(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/charm-9999 $(COPTD)CMK_OPTIMIZE=1 +CHARMLIB = /usr/lib64 # Libraries we may have changed LIBS = $(PLUGINLIB) $(DPMTALIBS) $(DPMELIBS) $(TCLDLL) @@ -255,7 +255,7 @@ # Add new executables here. -BINARIES = namd2 psfgen charmrun flipdcd flipbinpdb +BINARIES = namd2 psfgen flipdcd flipbinpdb # This should be rebuilt at every compile, but not on Win32. BUILDINFO = $(DSTDIR)/buildinfo @@ -284,11 +284,6 @@ $(CHARMOPTS) \ -lm -o namd2 -charmrun: $(CHARM)/bin/charmrun # XXX - $(COPY) $(CHARM)/bin/charmrun $@ - -windowsbinaries: namd2.exe psfgen.exe charmd.exe charmd_faceless.exe charmrun.exe - namd2.exe: $(INCDIR) $(DSTDIR) $(OBJS) $(LIBS) $(MAKEBUILDINFO) $(CHARMC) -verbose \ @@ -309,9 +304,6 @@ charmd_faceless.exe: $(COPY) $(CHARM)/bin/charmd_faceless.exe charmd_faceless.exe -charmrun.exe: - $(COPY) $(CHARM)/bin/charmrun.exe charmrun.exe - psfgen: $(DSTDIR) $(SBOBJS) $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(TCLLIB) $(TCLAPPLIB) -lm @@ -571,9 +563,7 @@ DOC_FILES = README.txt announce.txt license.txt notes.txt -RELEASE_FILES = flipdcd flipbinpdb psfgen charmrun namd2 - -WIN32_RELEASE_FILES = namd2.exe psfgen.exe charmrun.exe charmd.exe charmd_faceless.exe $(TCLDLL) +RELEASE_FILES = flipdcd flipbinpdb psfgen namd2 release: all $(ECHO) Creating release $(RELEASE_DIR_NAME) @@ -582,17 +572,9 @@ for f in $(DOC_FILES); do cp .rootdir/$$f $(RELEASE_DIR_NAME); done cp -r .rootdir/lib $(RELEASE_DIR_NAME) /bin/rm -rf $(RELEASE_DIR_NAME)/lib/CVS $(RELEASE_DIR_NAME)/lib/*/CVS - if [ -r $(CHARM)/bin/charmd ]; then \ - $(COPY) $(CHARM)/bin/charmd $(RELEASE_DIR_NAME); \ - fi - if [ -r $(CHARM)/bin/charmd_faceless ]; then \ - $(COPY) $(CHARM)/bin/charmd_faceless $(RELEASE_DIR_NAME); \ - fi chmod -R a+rX $(RELEASE_DIR_NAME) tar cf $(RELEASE_DIR_NAME).tar $(RELEASE_DIR_NAME) gzip $(RELEASE_DIR_NAME).tar - echo $(CHARM) - ls -l $(CHARM)/lib -for f in $(RELEASE_FILES); do echo $$f; $(LDD) $$f; done winrelease: winall diff -aurN NAMD_2.6_Source-orig/arch/Linux-amd64.fftw NAMD_2.6_Source/arch/Linux-amd64.fftw --- NAMD_2.6_Source-orig/arch/Linux-amd64.fftw 2007-08-24 13:35:35.663265610 -0500 +++ NAMD_2.6_Source/arch/Linux-amd64.fftw 2007-08-24 13:43:45.623186828 -0500 @@ -1,7 +1,6 @@ -FFTDIR=/Projects/namd2/fftw/linux-amd64 -FFTINCL=-I$(FFTDIR)/include -I$(HOME)/fftw/include -FFTLIB=-L$(FFTDIR)/lib -L$(HOME)/fftw/lib -lsrfftw -lsfftw +FFTINCL=-I/usr/include +FFTLIB=-L/usr/lib64 -lsrfftw -lsfftw FFTFLAGS=-DNAMD_FFTW FFT=$(FFTINCL) $(FFTFLAGS) diff -aurN NAMD_2.6_Source-orig/arch/Linux-amd64.tcl NAMD_2.6_Source/arch/Linux-amd64.tcl --- NAMD_2.6_Source-orig/arch/Linux-amd64.tcl 2007-08-24 13:35:35.663265610 -0500 +++ NAMD_2.6_Source/arch/Linux-amd64.tcl 2007-08-24 13:46:44.921404457 -0500 @@ -1,7 +1,6 @@ -TCLDIR=/Projects/namd2/tcl/linux-amd64 -TCLINCL=-I$(TCLDIR)/include -I$(HOME)/tcl/include -TCLLIB=-L$(TCLDIR)/lib -L$(HOME)/tcl/lib -ltcl8.3 -ldl -TCLFLAGS=-DNAMD_TCL +TCLINCL=-I/usr/include +TCLLIB=-L/usr/lib64 -L$(HOME)/tcl/lib -ltcl -ldl +TCLFLAGS=-DNAMD_TCL -DUSE_NON_CONST TCL=$(TCLINCL) $(TCLFLAGS)