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-rw-r--r--sci-chemistry/namd/Manifest12
-rw-r--r--sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch (renamed from sci-chemistry/namd/files/namd-2.6-gentoo.patch)40
-rw-r--r--sci-chemistry/namd/namd-2.6.ebuild8
3 files changed, 31 insertions, 29 deletions
diff --git a/sci-chemistry/namd/Manifest b/sci-chemistry/namd/Manifest
index 35ff64b..554ece4 100644
--- a/sci-chemistry/namd/Manifest
+++ b/sci-chemistry/namd/Manifest
@@ -1,12 +1,16 @@
+AUX namd-2.6-gentoo-amd64.patch 3603 RMD160 c73b9a273716c430004d87d36551a5474e6d3288 SHA1 a815851f7ebc8bb2533f38bb24b529765f2e6c54 SHA256 17f60d6add2b777726507c5badaf4dc5e0eb947d2c49c2562eda242aa8384435
+MD5 98dd6d870f303cbe8ba139e0bb2f35b4 files/namd-2.6-gentoo-amd64.patch 3603
+RMD160 c73b9a273716c430004d87d36551a5474e6d3288 files/namd-2.6-gentoo-amd64.patch 3603
+SHA256 17f60d6add2b777726507c5badaf4dc5e0eb947d2c49c2562eda242aa8384435 files/namd-2.6-gentoo-amd64.patch 3603
AUX namd-2.6-gentoo.patch 3650 RMD160 e7cc7fa0e20b01295d6f7c83211f961720e8beaa SHA1 f5525811cc092c5125be93cdce0e8c4e22fbee38 SHA256 55fad22d757d83d786b279a50a724499fb915767ade827895d686df16fa829d9
MD5 5d1edba2a5c3fbaa8df6a84cbffe2d8a files/namd-2.6-gentoo.patch 3650
RMD160 e7cc7fa0e20b01295d6f7c83211f961720e8beaa files/namd-2.6-gentoo.patch 3650
SHA256 55fad22d757d83d786b279a50a724499fb915767ade827895d686df16fa829d9 files/namd-2.6-gentoo.patch 3650
DIST NAMD_2.6_Source.tar.gz 8963319 RMD160 186f79322226a20398031618011104a666237298 SHA1 3b3d83fdc54a520cb6c59b34cde03c9f74d2f443 SHA256 bf353ff13eae18b5a8dc33d79d295e9fe73fb87482858309b7695ce3e24f0d0b
-EBUILD namd-2.6.ebuild 2188 RMD160 4331d1cc821a8740a7cda93f59dfd0709ca6a26b SHA1 94800f98c31bd81c21f54fe14e648b24e3749260 SHA256 728095355cad2875c3e41e635edc90af39968f9129e9e6e219ec9d424fd1ad79
-MD5 dce5bcaf14258a782bfcde9001a22db7 namd-2.6.ebuild 2188
-RMD160 4331d1cc821a8740a7cda93f59dfd0709ca6a26b namd-2.6.ebuild 2188
-SHA256 728095355cad2875c3e41e635edc90af39968f9129e9e6e219ec9d424fd1ad79 namd-2.6.ebuild 2188
+EBUILD namd-2.6.ebuild 2191 RMD160 6455f4414fe0dbabfaa9c311aa4b4f396a7a5cb4 SHA1 3578db2de833ca07566a4ab30ed0655ec3d8afdf SHA256 b35ff3d0fabeaba543f59d8e42acfb50dd6729981680365628c0f663b117da53
+MD5 a95e8518c38f1fbab38f0a9b26910461 namd-2.6.ebuild 2191
+RMD160 6455f4414fe0dbabfaa9c311aa4b4f396a7a5cb4 namd-2.6.ebuild 2191
+SHA256 b35ff3d0fabeaba543f59d8e42acfb50dd6729981680365628c0f663b117da53 namd-2.6.ebuild 2191
MD5 f125c37a6c730dd4213cc69fb280de0f files/digest-namd-2.6 250
RMD160 b71b7ad56f3f23d002ecca0ec623636690c7c895 files/digest-namd-2.6 250
SHA256 2a4f6569fcce7447d6c81a24a115b4b410ccc4247fb4c4e5a11c63c6708aa4a1 files/digest-namd-2.6 250
diff --git a/sci-chemistry/namd/files/namd-2.6-gentoo.patch b/sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch
index 9a71de8..9d65e51 100644
--- a/sci-chemistry/namd/files/namd-2.6-gentoo.patch
+++ b/sci-chemistry/namd/files/namd-2.6-gentoo-amd64.patch
@@ -1,6 +1,6 @@
-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
+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
@@ -11,8 +11,8 @@ diff -Naur NAMD_2.6_Source/Makefile NAMD_2.6_Source.new/Makefile
-CHARMLIB = $(CHARM)/lib
+CHARMC = /usr/bin/charmc
+CHARMXI = /usr/bin/charmc
-+CHARMINC = /usr/include/charm-5.9 $(COPTD)CMK_OPTIMIZE=1
-+CHARMLIB = /usr/lib
++CHARMINC = /usr/include/charm-9999 $(COPTD)CMK_OPTIMIZE=1
++CHARMLIB = /usr/lib64
# Libraries we may have changed
LIBS = $(PLUGINLIB) $(DPMTALIBS) $(DPMELIBS) $(TCLDLL)
@@ -76,32 +76,30 @@ diff -Naur NAMD_2.6_Source/Makefile NAMD_2.6_Source.new/Makefile
-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 @@
+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
+-FFTDIR=/Projects/namd2/fftw/linux-amd64
-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
++FFTLIB=-L/usr/lib64 -lsrfftw -lsfftw
FFTFLAGS=-DNAMD_FFTW
FFT=$(FFTINCL) $(FFTFLAGS)
-diff -Naur NAMD_2.6_Source/arch/Linux-i686.tcl NAMD_2.6_Source.new/arch/Linux-i686.tcl
---- NAMD_2.6_Source/arch/Linux-i686.tcl 2004-10-27 17:40:55.000000000 -0400
-+++ NAMD_2.6_Source.new/arch/Linux-i686.tcl 2006-09-19 15:56:45.000000000 -0400
-@@ -1,8 +1,8 @@
+diff -aurN NAMD_2.6_Source-orig/arch/Linux-amd64.tcl NAMD_2.6_Source/arch/Linux-amd64.tcl
+--- NAMD_2.6_Source-orig/arch/Linux-amd64.tcl 2007-08-24 13:35:35.663265610 -0500
++++ NAMD_2.6_Source/arch/Linux-amd64.tcl 2007-08-24 13:46:44.921404457 -0500
+@@ -1,7 +1,6 @@
--TCLDIR=/Projects/namd2/tcl/linux
-+#TCLDIR=/Projects/namd2/tcl/linux
- #TCLDIR=$(HOME)/tcl/cray-xt3
+-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/lib -L$(HOME)/tcl/lib -ltcl -ldl
- TCLFLAGS=-DNAMD_TCL -DUSE_NON_CONST
++TCLLIB=-L/usr/lib64 -L$(HOME)/tcl/lib -ltcl -ldl
++TCLFLAGS=-DNAMD_TCL -DUSE_NON_CONST
TCL=$(TCLINCL) $(TCLFLAGS)
diff --git a/sci-chemistry/namd/namd-2.6.ebuild b/sci-chemistry/namd/namd-2.6.ebuild
index a2b4781..ece7471 100644
--- a/sci-chemistry/namd/namd-2.6.ebuild
+++ b/sci-chemistry/namd/namd-2.6.ebuild
@@ -14,7 +14,7 @@ MY_PV="2.6"
SRC_URI="${MY_PN}_${MY_PV}_Source.tar.gz"
SLOT="0"
-KEYWORDS="~x86 ~amd64"
+KEYWORDS="~amd64"
IUSE=""
RESTRICT="fetch"
@@ -26,8 +26,8 @@ DEPEND="|| ( app-shells/csh
=sci-libs/fftw-2*
=dev-lang/tcl-8.4*"
-CHARM="charm-5.9"
-NAMD_ARCH="Linux-i686-g++"
+CHARM="charm-9999"
+NAMD_ARCH="Linux-amd64-g++"
NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD"
@@ -48,7 +48,7 @@ src_unpack() {
# apply a few small fixes to make NAMD compile and
# link to the proper libraries
- epatch "${FILESDIR}"/namd-2.6-gentoo.patch
+ epatch "${FILESDIR}"/namd-2.6-gentoo-amd64.patch
cd "${S}"