From 15eebab5ab5fdcf8064effb6dcb1cf36a4f9226b Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Wed, 28 Mar 2012 16:06:13 +0200 Subject: Using openbabel gem instead of compiling bindings --- Gemfile | 1 + Gemfile.lock | 2 ++ bin/algorithm-install | 1 - 3 files changed, 3 insertions(+), 1 deletion(-) diff --git a/Gemfile b/Gemfile index cbb6d62..4c1098b 100644 --- a/Gemfile +++ b/Gemfile @@ -2,3 +2,4 @@ source :gemcutter gem 'opentox-server', :path => "~/opentox-ruby/opentox-server" gem "opentox-client", :path => "~/opentox-ruby/opentox-client" +gem "openbabel", "2.3.1" diff --git a/Gemfile.lock b/Gemfile.lock index a6d93fe..5f20dfe 100644 --- a/Gemfile.lock +++ b/Gemfile.lock @@ -50,6 +50,7 @@ GEM faraday (~> 0.7) multi_json (~> 1.0) open4 (1.3.0) + openbabel (2.3.1) rack (1.4.1) rack-contrib (1.1.0) rack (>= 0.9.1) @@ -99,5 +100,6 @@ PLATFORMS ruby DEPENDENCIES + openbabel (= 2.3.1) opentox-client! opentox-server! diff --git a/bin/algorithm-install b/bin/algorithm-install index 5fe95de..99c4f7e 100755 --- a/bin/algorithm-install +++ b/bin/algorithm-install @@ -46,7 +46,6 @@ fi [ -d $OT_CONFIG_DIR/config/$SELF ] || cmd="mkdir -p $OT_CONFIG_DIR/config/$SELF" && run_cmd "$cmd" "Config directory" [ "`$RBENV local 2>/dev/null`" = "$RUBY_NUM_VER" ] || install_ruby -[ -n "`$FIND $RUBY_DIR -name openbabel.so 2>/dev/null`" ] || install_ob_ruby ( [ -n "`$FIND libfminer/ -name bbrc.so 2>/dev/null`" ] && [ -n "`$FIND libfminer/ -name last.so 2>/dev/null`" ] ) || . ./bin/fminer-install echo -- cgit v1.2.3