1 files changed, 72 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/scine-serenity/package.py b/var/spack/repos/builtin/packages/scine-serenity/package.py
new file mode 100644
index 0000000000..17b2d43e12
--- /dev/null
+++ b/var/spack/repos/builtin/packages/scine-serenity/package.py
@@ -0,0 +1,72 @@
+# 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"
+
+    version("master", branch="master")
+    version("1.0.1", "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