cdk predictions fixed

1 files changed, 1 insertions, 35 deletions

diff --git a/shell.nix b/shell.nix
index 3baa358..dc582fb 100644
--- a/shell.nix
+++ b/shell.nix
@@ -1,42 +1,8 @@
 with import <nixpkgs> { };
 let
   R-packages = rWrapper.override { packages = with rPackages; [ ggplot2 caret ]; };
-  openbabel = stdenv.mkDerivation {
-
-    name = "openbabel-ruby";
-
-    src = fetchurl {
-      url = "https://github.com/openbabel/openbabel/releases/download/openbabel-3-1-1/openbabel-3.1.1-source.tar.bz2";
-      sha256 = "puyDgdWeoypLJByLH715mstSvpSrZM29clBvtOInDmg=";
-    };
-
-    #outputs = [ "lib" ];
-
-    buildInputs = [
-      # openbabel
-      cmake
-      ruby
-      swig
-      boost
-      zlib
-      libxml2
-      cairo
-      eigen
-      pkg-config
-      pcre
-    ];
-
-    configurePhase = ''
-      cmake . -DWITH_MAEPARSER=OFF -DWITH_JSON=OFF -DBUILD_GUI=OFF -DENABLE_TESTS=OFF -DRUN_SWIG=ON -DBINDINGS_ONLY=ON -DRUBY_BINDINGS=ON -DMINIMAL_BUILD=ON -DOPTIMIZE_NATIVE=ON -DCMAKE_INSTALL_PREFIX=$out  -DCMAKE_INSTALL_RPATH:STRING=$out/lib
-    '';
-
-    buildPhase = ''
-      make -j12
-    '';
-      
-  };
 in mkShell {
-  name = "mutagenicity-paper";
+  name = "lazar";
   buildInputs = [
     git
     R-packages