diff options
Diffstat (limited to 'sci-chemistry/namd/files')
| -rw-r--r-- | sci-chemistry/namd/files/digest-namd-2.6 | 3 | ||||
| -rw-r--r-- | sci-chemistry/namd/files/namd-2.6-gentoo.patch | 107 |
2 files changed, 110 insertions, 0 deletions
diff --git a/sci-chemistry/namd/files/digest-namd-2.6 b/sci-chemistry/namd/files/digest-namd-2.6 new file mode 100644 index 0000000..9726cd1 --- /dev/null +++ b/sci-chemistry/namd/files/digest-namd-2.6 @@ -0,0 +1,3 @@ +MD5 c7d3b5101d1de0eca045e0d2f0ffffe3 NAMD_2.6_Source.tar.gz 8963319 +RMD160 186f79322226a20398031618011104a666237298 NAMD_2.6_Source.tar.gz 8963319 +SHA256 bf353ff13eae18b5a8dc33d79d295e9fe73fb87482858309b7695ce3e24f0d0b NAMD_2.6_Source.tar.gz 8963319 diff --git a/sci-chemistry/namd/files/namd-2.6-gentoo.patch b/sci-chemistry/namd/files/namd-2.6-gentoo.patch new file mode 100644 index 0000000..9a71de8 --- /dev/null +++ b/sci-chemistry/namd/files/namd-2.6-gentoo.patch @@ -0,0 +1,107 @@ +diff -Naur NAMD_2.6_Source/Makefile NAMD_2.6_Source.new/Makefile +--- NAMD_2.6_Source/Makefile 2006-08-30 00:19:25.000000000 -0400 ++++ NAMD_2.6_Source.new/Makefile 2006-09-19 15:56:17.000000000 -0400 +@@ -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-5.9 $(COPTD)CMK_OPTIMIZE=1 ++CHARMLIB = /usr/lib + + # 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 -Naur NAMD_2.6_Source/arch/Linux-i686.fftw NAMD_2.6_Source.new/arch/Linux-i686.fftw +--- NAMD_2.6_Source/arch/Linux-i686.fftw 2004-02-20 17:38:36.000000000 -0500 ++++ NAMD_2.6_Source.new/arch/Linux-i686.fftw 2006-09-19 15:52:32.000000000 -0400 +@@ -1,7 +1,7 @@ + +-FFTDIR=/Projects/namd2/fftw/linux +-FFTINCL=-I$(FFTDIR)/include -I$(HOME)/fftw/include +-FFTLIB=-L$(FFTDIR)/lib -L$(HOME)/fftw/lib -lsrfftw -lsfftw ++#FFTDIR=/Projects/namd2/fftw/linux ++FFTINCL=-I/usr/include ++FFTLIB=-L/usr/lib -lsrfftw -lsfftw + FFTFLAGS=-DNAMD_FFTW + FFT=$(FFTINCL) $(FFTFLAGS) + +diff -Naur NAMD_2.6_Source/arch/Linux-i686.tcl NAMD_2.6_Source.new/arch/Linux-i686.tcl +--- NAMD_2.6_Source/arch/Linux-i686.tcl 2004-10-27 17:40:55.000000000 -0400 ++++ NAMD_2.6_Source.new/arch/Linux-i686.tcl 2006-09-19 15:56:45.000000000 -0400 +@@ -1,8 +1,8 @@ + +-TCLDIR=/Projects/namd2/tcl/linux ++#TCLDIR=/Projects/namd2/tcl/linux + #TCLDIR=$(HOME)/tcl/cray-xt3 +-TCLINCL=-I$(TCLDIR)/include -I$(HOME)/tcl/include +-TCLLIB=-L$(TCLDIR)/lib -L$(HOME)/tcl/lib -ltcl8.3 -ldl ++TCLINCL=-I/usr/include ++TCLLIB=-L/usr/lib -L$(HOME)/tcl/lib -ltcl -ldl + TCLFLAGS=-DNAMD_TCL -DUSE_NON_CONST + TCL=$(TCLINCL) $(TCLFLAGS) + |