namd: Convert to new overlay system

This commit is contained in:
Tyson Whitehead
2018-01-18 00:27:38 -05:00
parent e44edd0230
commit 38d4b97ead
2 changed files with 5 additions and 2 deletions

View File

@@ -12,4 +12,6 @@ self: pkgs: with pkgs; {
openslide-python = callPackage ./openslide/python.nix { };
sumo = callPackage ./sumo.nix { };
namd = callPackage ./namd.nix { };
}

55
pkgs/namd.nix Normal file
View File

@@ -0,0 +1,55 @@
{ stdenv, fetchurl
, bash, tcsh }:
stdenv.mkDerivation rec {
version = "2.11";
name = "namd-${version}";
src = fetchurl {
url = "http://ppomorsk.sharcnet.ca/namd-${version}.tar.gz";
sha256 = "1ylrxy8iqmsr64z82nr9cf3vvq9hbdav128fs2czm46y999dpls1";
};
postUnpack = ''
cd namd-${version}
tar -xf charm-*.tar
tar -xzf fftw-linux-x86_64.tar.gz
mv linux-x86_64 fftw
tar -xzf tcl*-linux-x86_64.tar.gz
mv tcl*-linux-x86_64 tcl
tar -xzf tcl*-linux-x86_64-threaded.tar.gz
mv tcl*-linux-x86_64-threaded tcl-threaded
cd ..
'';
patchPhase = ''
find charm-*/ -type f | xargs sed -i \
-e 's,/bin/cp,cp,g' \
-e 's,/bin/rm,rm,g' \
-e 's,/lib/cpp,cpp,g'
'';
configurePhase = ''
tcsh -f ./config Linux-x86_64-g++ --charm-arch multicore-linux64
'';
buildPhase = ''
cd charm-*/
./build charm++ multicore-linux64 --no-build-shared --with-production
cd ..
cd Linux-x86_64-g++
make
cd ..
'';
installPhase = ''
rm -fr Linux-x86_64-g++/{obj,src,inc,Make*,plugins,sb}
cp -r plugins Linux-x86_64-g++/
cp -r psfgen Linux-x86_64-g++/sb
mkdir -p $out/lib/namd
cp -r Linux-x86_64-g++/* $out/lib/namd
mkdir -p $out/bin
ln -s $out/lib/namd/namd2 $out/bin/namd2
'';
buildInputs = [
bash
tcsh
];
}