# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) import os from spack.package import * class ScineDatabase(CMakePackage): """The SCINE database module is a database wrapper for a MongoDB encoding reaction networks.""" homepage = "https://scine.ethz.ch/" url = "https://github.com/qcscine/database/archive/refs/tags/1.1.0.tar.gz" git = "https://github.com/qcscine/database.git" license("BSD-3-Clause") version("master", branch="master") version("1.1.0", sha256="a9144631dfb90e06f6924cf58fc5db13719cf8577fcd3bbf788a135060a70c18") resource( name="dev", url="https://github.com/qcscine/development-utils/archive/refs/tags/5.0.1.tar.gz", sha256="089ca500fc191e04a968ea166d2fe80178b227bc2e6d3926523fa2eee5f6492d", placement="_dev", ) variant("python", default=False, description="Build Python extension module") depends_on("eigen@3:") depends_on("googletest", type="build") depends_on("mongo-cxx-driver@3.2.1:") depends_on("python@3.6:", when="+python", type=("build", "run")) depends_on("py-pip", when="+python", type="build") depends_on("py-pybind11", when="+python", type="build") depends_on("scine-utilities@5:") depends_on("scine-utilities+python", when="+python") extends("python", when="+python") def patch(self): os.rmdir("dev") os.rename("_dev", "dev") filter_file( "#include ", "#include \n#include ", "src/Database/Database/Collection.cpp", ) def cmake_args(self): args = [ self.define("SCINE_BUILD_TESTS", self.run_tests), self.define("SCINE_BUILD_PYTHON_BINDINGS", "+python" in self.spec), self.define("SCINE_MARCH", ""), ] if "+python" in self.spec: args.append(self.define("PYTHON_EXECUTABLE", self.spec["python"].command.path)) return args