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# Copyright 2013-2022 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 ScineSerenity(CMakePackage):
"""Wrapper around Serenity to make it compatible with Scine"""
homepage = "https://scine.ethz.ch"
url = "https://github.com/qcscine/serenity_wrapper/archive/refs/tags/1.0.1.tar.gz"
git = "https://github.com/qcscine/serenity_wrapper"
license("BSD-3-Clause")
version("master", branch="master")
version("1.0.1", sha256="e2e5cc265a68ccab05f1bc934b957ca07c4f1c6004e662684023da451da69299")
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("boost+system+filesystem+program_options cxxstd=17 @1.65.0:")
depends_on("python@3.6:", when="+python", type=("build", "run"))
depends_on("py-pip", when="+python", type="build")
depends_on("scine-core")
depends_on("scine-utilities")
depends_on("scine-utilities+python", when="+python", type=("build", "run"))
depends_on("serenity")
extends("python", when="+python")
def patch(self):
os.rmdir("dev")
os.rename("_dev", "dev")
filter_file(
# Serenity does not install any config or targets file...
"find_package(serenity QUIET)",
"find_library(SERENITY_LIBRARY serenity REQUIRED)\n"
"add_library(serenity INTERFACE IMPORTED)\n"
"target_link_libraries(serenity INTERFACE ${SERENITY_LIBRARY})\n"
"target_include_directories(serenity INTERFACE ${SERENITY_INCLUDE_DIR})\n"
"find_package(OpenMP REQUIRED)\n"
"target_compile_options(serenity INTERFACE ${OpenMP_CXX_FLAGS})\n",
"CMakeLists.txt",
string=True,
)
def cmake_args(self):
args = [
self.define("SCINE_BUILD_TESTS", self.run_tests),
self.define_from_variant("SCINE_BUILD_PYTHON_BINDINGS", "python"),
self.define("SCINE_MARCH", ""),
self.define("serenity_DIR", self.spec["serenity"].prefix.lib.cmake.serenity),
self.define("SERENITY_INCLUDE_DIR", self.spec["serenity"].prefix.include.serenity),
self.define("BOOST_ROOT", self.spec["boost"].prefix),
self.define("BOOST_LIBRARY_DIR", self.spec["boost"].libs.directories[0]),
self.define("BOOST_INCLUDE_DIR", self.spec["boost"].headers.directories[0]),
self.define("BOOST_NO_SYSTEM_PATHS", True),
self.define("Boost_NO_BOOST_CMAKE", True),
]
if "+python" in self.spec:
args.append(self.define("PYTHON_EXECUTABLE", self.spec["python"].command.path))
return args
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