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# 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 <mongocxx/collection.hpp>",
"#include <mongocxx/collection.hpp>\n#include <mongocxx/pipeline.hpp>",
"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
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