diff options
Diffstat (limited to 'sci-chemistry/namd/files/namd-2.7_beta2-gentoo.patch')
| -rw-r--r-- | sci-chemistry/namd/files/namd-2.7_beta2-gentoo.patch | 126 |
1 files changed, 126 insertions, 0 deletions
diff --git a/sci-chemistry/namd/files/namd-2.7_beta2-gentoo.patch b/sci-chemistry/namd/files/namd-2.7_beta2-gentoo.patch new file mode 100644 index 000000000000..898d6b5d0980 --- /dev/null +++ b/sci-chemistry/namd/files/namd-2.7_beta2-gentoo.patch @@ -0,0 +1,126 @@ +diff -ur NAMD_2.7b2_Source.orig//arch/Linux-x86_64.fftw NAMD_2.7b2_Source//arch/Linux-x86_64.fftw +--- NAMD_2.7b2_Source.orig//arch/Linux-x86_64.fftw 2010-04-23 14:40:54.566510874 -0500 ++++ NAMD_2.7b2_Source//arch/Linux-x86_64.fftw 2010-04-23 14:41:08.106528893 -0500 +@@ -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) $(FFTFLAGS) + +diff -ur NAMD_2.7b2_Source.orig//arch/Linux-x86_64.tcl NAMD_2.7b2_Source//arch/Linux-x86_64.tcl +--- NAMD_2.7b2_Source.orig//arch/Linux-x86_64.tcl 2010-04-23 14:40:54.566510874 -0500 ++++ NAMD_2.7b2_Source//arch/Linux-x86_64.tcl 2010-04-23 14:41:08.106528893 -0500 +@@ -1,7 +1,7 @@ + +-TCLDIR=/Projects/namd2/tcl/linux-x86_64 ++TCLDIR=/usr + TCLINCL=-I$(TCLDIR)/include +-TCLLIB=-L$(TCLDIR)/lib -ltcl8.3 -ldl ++TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl + TCLFLAGS=-DNAMD_TCL + TCL=$(TCLINCL) $(TCLFLAGS) + +diff -ur NAMD_2.7b2_Source.orig//Make.charm NAMD_2.7b2_Source//Make.charm +--- NAMD_2.7b2_Source.orig//Make.charm 2010-04-23 14:40:54.556517020 -0500 ++++ NAMD_2.7b2_Source//Make.charm 2010-04-23 14:42:16.026530011 -0500 +@@ -2,5 +2,5 @@ + # The config script will override this setting if there is a directory + # called charm-6.1 or charm in the NAMD base directory. + +-CHARMBASE = /Projects/namd2/charm-6.1.3 ++CHARMBASE = /usr/include/charm-6.1.3 + +Only in NAMD_2.7b2_Source/: Make.charm.~1~ +Only in NAMD_2.7b2_Source/: Make.charm.porig +diff -ur NAMD_2.7b2_Source.orig//Makefile NAMD_2.7b2_Source//Makefile +--- NAMD_2.7b2_Source.orig//Makefile 2010-04-23 14:40:54.556517020 -0500 ++++ NAMD_2.7b2_Source//Makefile 2010-04-23 14:42:59.446523306 -0500 +@@ -300,10 +300,10 @@ + $(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 + + # Libraries we may have changed + LIBS = $(CUDAOBJS) $(PLUGINLIB) $(DPMTALIBS) $(DPMELIBS) $(TCLDLL) +@@ -323,7 +323,7 @@ + + # 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 +@@ -354,9 +354,6 @@ + $(CHARMOPTS) \ + -lm -o namd2 + +-charmrun: $(CHARM)/bin/charmrun # XXX +- $(COPY) $(CHARM)/bin/charmrun $@ +- + $(LIBCUDARTSO): + if [ -r $(CUDADIR)/lib64/$(LIBCUDARTSO) ]; then \ + $(COPY) $(CUDADIR)/lib64/$(LIBCUDARTSO) $@; \ +@@ -364,10 +361,6 @@ + $(COPY) $(CUDADIR)/lib/$(LIBCUDARTSO) $@; \ + fi + +-WINDOWSBINARIES = namd2.exe psfgen.exe +-# WINDOWSBINARIES = namd2.exe psfgen.exe charmd.exe charmd_faceless.exe charmrun.exe +-windowsbinaries: $(WINDOWSBINARIES) +- + namd2.exe: $(INCDIR) $(DSTDIR) $(OBJS) $(LIBS) $(TCLDLL) + $(MAKEBUILDINFO) + $(CHARMC) -verbose \ +@@ -390,9 +383,6 @@ + charmd_faceless.exe: + $(COPY) $(CHARM)/bin/charmd_faceless.exe charmd_faceless.exe + +-charmrun.exe: +- $(COPY) $(CHARM)/bin/charmrun.exe charmrun.exe +- + psfgen: $(DSTDIR) $(SBOBJS) $(PLUGINOBJS) + $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm + +@@ -716,9 +706,7 @@ + + DOC_FILES = README.txt announce.txt license.txt notes.txt + +-RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb psfgen charmrun namd2 +- +-WINDOWS_RELEASE_FILES = $(WINDOWSBINARIES) $(TCLDLL) ++RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb psfgen namd2 + + release: all + $(ECHO) Creating release $(RELEASE_DIR_NAME) +@@ -727,17 +715,9 @@ + 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 +Only in NAMD_2.7b2_Source/: Makefile.porig |