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author | Jeffrey Gardner <je_fro@gentoo.org> | 2007-08-24 18:53:44 +0000 |
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committer | Jeffrey Gardner <je_fro@gentoo.org> | 2007-08-24 18:53:44 +0000 |
commit | 1ebd2d8cdc501afb3050fa729ac366ab125512fd (patch) | |
tree | e90287b4b33df8dce5074a8047453887ee4a1f69 /sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch | |
parent | Depend on no specific charm revision. (diff) | |
download | je_fro-1ebd2d8cdc501afb3050fa729ac366ab125512fd.tar.gz je_fro-1ebd2d8cdc501afb3050fa729ac366ab125512fd.tar.bz2 je_fro-1ebd2d8cdc501afb3050fa729ac366ab125512fd.zip |
Quick and dirty namd for amd64 only.
svn path=/; revision=59
Diffstat (limited to 'sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch')
-rw-r--r-- | sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch | 105 |
1 files changed, 105 insertions, 0 deletions
diff --git a/sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch b/sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch new file mode 100644 index 0000000..9d65e51 --- /dev/null +++ b/sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch @@ -0,0 +1,105 @@ +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) + |