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-rw-r--r--Formula/chemicalite.rb29
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diff --git a/Formula/chemicalite.rb b/Formula/chemicalite.rb
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--- a/Formula/chemicalite.rb
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-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