Add QuEST 4.2.0

repos/spack_repo/hygon/tsoc/packages/quest/package.py

+# Copyright Spack Project Developers. See COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack_repo.builtin.build_systems.cmake import CMakePackage
+from spack_repo.builtin.build_systems.cuda import CudaPackage
+from spack_repo.builtin.build_systems.rocm import ROCmPackage
+
+from spack.install_test import SkipTest
+from spack.package import *
+
+
+class Quest(CMakePackage, CudaPackage, ROCmPackage):
+    """A multithreaded, distributed, GPU-accelerated simulator of quantum computers."""
+
+    homepage = "https://quest.qtechtheory.org"
+    url = "https://github.com/QuEST-Kit/QuEST/archive/refs/tags/v4.0.0.tar.gz"
+
+    maintainers("AcerP-py")
+
+    license("MIT", checked_by="AcerP-py")
+
+    version("4.2.0", sha256="2c812a7ec4d727e0947ffd0daf05452963c3f1c10e428c8bc30c35164921fcba")
+    version("4.1.0", sha256="85aa95bba6457c4f4e93221f4c417d988588891a1f7cb211c307dfe81a10cadd")
+    version("4.0.0", sha256="e6a922a9dc1d6ee7c4d2591a277646dca2ce2fd90eecf36fd66970cb24bbfb67")
+
+    variant("examples", default=False, description="Build examples")
+    variant("mpi", default=True, description="Enable MPI support")
+    variant("openmp", default=True, description="Build with OpenMP")
+    variant(
+        "precision",
+        default="2",
+        description="Set floating-point precision",
+        values=("1", "2", "4"),
+        multi=False,
+    )
+    variant("tests", default=False, description="Build tests")
+
+    depends_on("c", type="build")
+    depends_on("cxx", type="build")
+
+    with when("+mpi"):
+        depends_on("mpi")
+
+    with when("+tests"):
+        depends_on("catch2")
+
+    def check(self):
+        if self.spec.satisfies("~tests"):
+            raise SkipTest("To run tests for QuEST you must enable the 'tests' variant!")
+        super().check()
+
+    def cmake_args(self):
+        args = [
+            # from variants
+            self.define_from_variant("BUILD_EXAMPLES", "examples"),
+            self.define_from_variant("ENABLE_DISTRIBUTION", "mpi"),
+            self.define_from_variant("ENABLE_MULTITHREADING", "openmp"),
+            self.define_from_variant("FLOAT_PRECISION", "precision"),
+            self.define_from_variant("ENABLE_TESTING", "tests"),
+            # others
+            self.define("DOWNLOAD_CATCH2", False),  # don't use internal catch2
+        ]
+
+        if self.spec.satisfies("+cuda"):
+            args.append(self.define("ENABLE_CUDA", True))
+
+            targets = ";".join(self.spec.variants["cuda_arch"].value)
+            args.append(self.define("CMAKE_CUDA_ARCHITECTURES", targets))
+
+        if self.spec.satisfies("+rocm"):
+            args.append(self.define("ENABLE_HIP", True))
+
+            targets = ";".join(self.spec.variants["amdgpu_target"].value)
+            args.append(self.define("CMAKE_HIP_ARCHITECTURES", targets))
+
+        return args
+
+    def patch(self):
+        # remove extra 'quest' that is added to the install path
+        filter_file(r'^cmake_path\(APPEND CMAKE_INSTALL_PREFIX "quest"\)$', "", "CMakeLists.txt")