From f84708d7740e22c3b476da897345c4079a861551 Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Tue, 2 Apr 2024 23:55:42 -0600
Subject: add autodock-vina and chemicalite

---
 Formula/autodock-vina.rb | 43 +++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 43 insertions(+)
 create mode 100644 Formula/autodock-vina.rb

(limited to 'Formula/autodock-vina.rb')

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
-- 
cgit v1.2.3


From e659a731ea37d9c0f501793254bd93054b52dcc2 Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Wed, 3 Apr 2024 00:09:59 -0600
Subject: update to 1.2.5

---
 Formula/autodock-vina.rb | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

(limited to 'Formula/autodock-vina.rb')

diff --git a/Formula/autodock-vina.rb b/Formula/autodock-vina.rb
index 284873d..078b16c 100644
--- a/Formula/autodock-vina.rb
+++ b/Formula/autodock-vina.rb
@@ -1,8 +1,8 @@
 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"
+  homepage "https://vina.scripps.edu"
+  url "https://github.com/ccsb-scripps/AutoDock-Vina/archive/refs/tags/v1.2.5.tar.gz"
+  sha256 "38aec306bff0e47522ca8f581095ace9303ae98f6a64031495a9ff1e4b2ff712"
   license "Apache-2.0"
 
   depends_on "swig" => :build
@@ -12,8 +12,8 @@ class AutodockVina < Formula
     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! "C_OPTIONS= -O3 -DNDEBUG -std=c++11 -fvisibility=hidden", "C_OPTIONS= -O3 -DNDEBUG \
+          -std=c++14 -fvisibility=hidden -DBOOST_TIMER_ENABLE_DEPRECATED"
           s.gsub! "BASE=/usr/local", "BASE=#{HOMEBREW_PREFIX}"
         end
         system "make"
-- 
cgit v1.2.3