1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
|
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
|
