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authorChristoph Helma <helma@in-silico.ch>2021-02-18 21:59:37 +0100
committerChristoph Helma <helma@in-silico.ch>2021-02-18 21:59:37 +0100
commit3af0c3d5c5b7f7d506a4582bbe3dca7d22bbefcc (patch)
tree66a0f989c01fdac9085e9d22961fae2de0b568f7 /shell.nix
parent9901f99e546619121a5dc9f31e82865198e7b912 (diff)
further cleanup, detailled pa-predictions separated, text modified until results
Diffstat (limited to 'shell.nix')
-rw-r--r--shell.nix42
1 files changed, 1 insertions, 41 deletions
diff --git a/shell.nix b/shell.nix
index 9c16281..1ee567f 100644
--- a/shell.nix
+++ b/shell.nix
@@ -2,42 +2,7 @@ with import <nixpkgs> { };
let
R-packages = rWrapper.override { packages = with rPackages; [ ggplot2 Rtsne ]; };
gems = bundlerEnv { name = "mustache"; gemdir = ./.; };
- #lazar-gems = bundlerEnv { name = "lazar"; gemdir = ./../lazar; };
latex-authblk = texlive.combine { inherit (texlive) scheme-medium preprint; };
- 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";
buildInputs = [
@@ -45,16 +10,11 @@ in mkShell {
git
latex-authblk
fontconfig
- #haskellPackages.pandoc-placetable
- #haskellPackages.pandoc-csv2table
haskellPackages.pandoc-crossref
haskellPackages.pandoc-citeproc
- #haskellPackages.pandoc-include
R-packages
- #lazar-gems
gems
- #gems.wrappedRuby
- #openbabel-ruby
+ gems.wrappedRuby
openbabel
];
}