add autodock-vina and chemicalite

1 files changed, 43 insertions, 0 deletions

diff --git a/Formula/autodock-vina.rb b/Formula/autodock-vina.rb
new file mode 100644
index 0000000..284873d
--- /dev/null
+++ b/Formula/autodock-vina.rb
@@ -0,0 +1,43 @@
+class AutodockVina < Formula
+  desc "Open-source program for doing molecular docking"
+  homepage "http://vina.scripps.edu"
+  url "https://github.com/ccsb-scripps/AutoDock-Vina/archive/refs/tags/v1.2.3.tar.gz"
+  sha256 "22f85b2e770b6acc363429153b9551f56e0a0d88d25f747a40d2f55a263608e0"
+  license "Apache-2.0"
+
+  depends_on "swig" => :build
+  depends_on "boost"
+
+  def install
+    if OS.mac?
+      cd "build/mac/release" do
+        inreplace "Makefile" do |s|
+          s.gsub! "C_OPTIONS= -O3 -DNDEBUG -std=c++11", "C_OPTIONS= -O3 -DNDEBUG \
+          -std=c++14 -DBOOST_TIMER_ENABLE_DEPRECATED"
+          s.gsub! "BASE=/usr/local", "BASE=#{HOMEBREW_PREFIX}"
+        end
+        system "make"
+        system "make"
+        bin.install "vina"
+        bin.install "vina_split"
+      end
+    else
+      cd "build/linux/release" do
+        inreplace "Makefile" do |s|
+          s.gsub! "C_OPTIONS= -O3 -DNDEBUG -std=c++11", "C_OPTIONS= -O3 -DNDEBUG \
+          -std=c++14 -DBOOST_TIMER_ENABLE_DEPRECATED"
+          s.gsub! "BASE=/usr/local", "BASE=#{HOMEBREW_PREFIX}"
+        end
+        system "make"
+        system "make"
+        bin.install "vina"
+        bin.install "vina_split"
+      end
+    end
+  end
+
+  test do
+    system "#{HOMEBREW_PREFIX}/bin/vina", "--version"
+    system "#{HOMEBREW_PREFIX}/bin/vina_split", "--version"
+  end
+end