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authorNavan Chauhan <navanchauhan@gmail.com>2024-04-03 02:11:48 -0600
committerNavan Chauhan <navanchauhan@gmail.com>2024-04-03 02:11:48 -0600
commit721376bf55f2ee22bcae969a98dafe5bbb05aebc (patch)
treec487da2cadd679240587c81995f47ac0853f2743 /Formula
parent98a6ee343a69859697e463d1658d4b895858a686 (diff)
Diffstat (limited to 'Formula')
-rw-r--r--Formula/autodock-vina.rb43
-rw-r--r--Formula/chemicalite.rb29
2 files changed, 0 insertions, 72 deletions
diff --git a/Formula/autodock-vina.rb b/Formula/autodock-vina.rb
deleted file mode 100644
index 078b16c..0000000
--- a/Formula/autodock-vina.rb
+++ /dev/null
@@ -1,43 +0,0 @@
-class AutodockVina < Formula
- desc "Open-source program for doing molecular docking"
- 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
- 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 -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"
- 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
diff --git a/Formula/chemicalite.rb b/Formula/chemicalite.rb
deleted file mode 100644
index 6c94a38..0000000
--- a/Formula/chemicalite.rb
+++ /dev/null
@@ -1,29 +0,0 @@
-class Chemicalite < Formula
- desc "SQLite extension for chemoinformatics applications"
- homepage "https://chemicalite.readthedocs.io/en/latest/"
- url "https://github.com/rvianello/chemicalite/archive/refs/tags/2024.02.1.tar.gz"
- sha256 "fa254bb9a9b15b8fb4befefc28ff12225fdf99ddcf3ee0a5bd749be72283c9e7"
- license "BSD-3-Clause"
-
- depends_on "catch2" => [:build, :test]
- depends_on "cmake" => :build
- depends_on "sqlite" => [:build, :test]
- depends_on "python3" => [:test]
- depends_on "boost"
- depends_on "rdkit"
-
- def install
- system "cmake", "-S", ".", "-B", "build", "-DCHEMICALITE_ENABLE_TESTS=OFF", *std_cmake_args
- system "cmake", "--build", "build"
- system "cmake", "--install", "build"
- end
-
- test do
- system "python3", "-c", "import sqlite3; \
- con = sqlite3.connect('chembldb.sql'); \
- con.enable_load_extension(True); \
- con.load_extension('chemicalite'); \
- con.execute( \
- 'CREATE TABLE chembl(id INTEGER PRIMARY KEY, chembl_id TEXT, molecule MOL)')"
- end
-end