55 lines
1.3 KiB
Nix
55 lines
1.3 KiB
Nix
with import <nixpkgs> {};
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stdenv.mkDerivation {
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name = "namd-2.11";
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src = fetchurl {
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url = http://ppomorsk.sharcnet.ca/namd-2.11.tar.gz;
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md5 = "8a81eb4c883edbf977d0af05351f6914";
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};
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postUnpack = ''
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cd namd-*
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tar -xf charm-6.7.0.tar
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tar -xzf fftw-linux-x86_64.tar.gz
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mv linux-x86_64 fftw
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tar -xzf tcl8.5.9-linux-x86_64.tar.gz
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mv tcl8.5.9-linux-x86_64 tcl
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tar -xzf tcl8.5.9-linux-x86_64-threaded.tar.gz
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mv tcl8.5.9-linux-x86_64-threaded tcl-threaded
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cd ..
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'';
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patchPhase = ''
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find charm-6.7.0 -type f | xargs sed -i \
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-e 's,/bin/cp,cp,g' \
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-e 's,/bin/rm,rm,g' \
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-e 's,/lib/cpp,cpp,g'
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'';
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configurePhase = ''
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tcsh -f ./config Linux-x86_64-g++ --charm-arch multicore-linux64
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'';
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buildPhase = ''
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cd charm-6.7.0
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./build charm++ multicore-linux64 --no-build-shared --with-production
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cd ..
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cd Linux-x86_64-g++
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make
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cd ..
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'';
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installPhase = ''
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rm -fr Linux-x86_64-g++/{obj,src,inc,Make*,plugins,sb}
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cp -r plugins Linux-x86_64-g++/
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cp -r psfgen Linux-x86_64-g++/sb
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mkdir -p $out/lib/namd
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cp -r Linux-x86_64-g++/* $out/lib/namd
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mkdir -p $out/bin
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ln -s $out/lib/namd/namd2 $out/bin/namd2
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'';
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buildInputs = [
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perl
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bash
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tcsh
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];
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}
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