diff --git a/pkgs/namd.nix b/pkgs/namd.nix index 0d54da9..5e23a1b 100644 --- a/pkgs/namd.nix +++ b/pkgs/namd.nix @@ -1,37 +1,54 @@ -{ stdenv, fetchurl -, bash, tcsh }: +{ stdenv, fetchgit, fetchFromGitHub +, tcsh, tcl-8_5, fftwSinglePrec }: stdenv.mkDerivation rec { version = "2.11"; name = "namd-${version}"; - src = fetchurl { - url = "http://ppomorsk.sharcnet.ca/namd-${version}.tar.gz"; - sha256 = "1ylrxy8iqmsr64z82nr9cf3vvq9hbdav128fs2czm46y999dpls1"; - }; + srcs = [ + (fetchgit { + name = "namd-${version}-src"; + url = "https://charm.cs.illinois.edu/gerrit/namd.git"; + rev = "release-2-11"; + sha256 = "0msxc1zwjsjb5iynm2hzyvk42wrkbaw234kjcmaxv4zvd3wb8qmw"; + }) + (fetchFromGitHub { + name = "charm-6.7.0-src"; + owner = "UIUC-PPL"; + repo = "charm"; + rev = "v6.7.0"; + sha256 = "0xcw0jnp8l7dkx3cq9qbyyvr8k5zbij7w1ings0xg6ryjmjgi92x"; + }) + ]; + sourceRoot = "namd-${version}-src"; postUnpack = '' - cd namd-${version} - tar -xf charm-*.tar - tar -xzf fftw-linux-x86_64.tar.gz - mv linux-x86_64 fftw - tar -xzf tcl*-linux-x86_64.tar.gz - mv tcl*-linux-x86_64 tcl - tar -xzf tcl*-linux-x86_64-threaded.tar.gz - mv tcl*-linux-x86_64-threaded tcl-threaded - cd .. + chmod -R u+w namd-${version}-src charm-*-src + mv charm-*-src namd-${version}-src/charm ''; + +# postUnpack = '' +# cd namd-${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 \ + 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 + tcsh -f ./config Linux-x86_64-g++ --charm-arch multicore-linux64 --with-fftw3 ''; buildPhase = '' - cd charm-*/ + cd charm ./build charm++ multicore-linux64 --no-build-shared --with-production cd .. cd Linux-x86_64-g++ @@ -49,7 +66,8 @@ stdenv.mkDerivation rec { ''; buildInputs = [ - bash tcsh + tcl-8_5 + fftwSinglePrec ]; }