PawseySC · dipietrantonio · Sep 8, 2023
diff --git a/repo/packages/hipsycl/package.py b/repo/packages/hipsycl/package.py
@@ -0,0 +1,150 @@
+# Copyright 2013-2023 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 json
+from os import path
+
+from llnl.util import filesystem
+
+from spack.package import *
+
+
+class Hipsycl(CMakePackage, ROCmPackage):
+    """hipSYCL is an implementation of the SYCL standard programming model
+    over NVIDIA CUDA/AMD HIP"""
+
+    homepage = "https://github.com/illuhad/hipSYCL"
+    url = "https://github.com/OpenSYCL/OpenSYCL/archive/refs/tags/v0.9.4.tar.gz"
+    git = "https://github.com/OpenSYCL/OpenSYCL.git"
+
+    # maintainers("nazavode")
+
+    provides("sycl")
+
+    version("stable", branch="stable", submodules=True)
+    version("0.9.4", commit="99d9e24d462b35e815e0e59c1b611936c70464ae", submodules=True)
+    version("0.9.3", commit="51507bad524c33afe8b124804091b10fa25618dc", submodules=True)
+    version("0.9.2", commit="49fd02499841ae884c61c738610e58c27ab51fdb", submodules=True)
+    version("0.9.1", commit="fe8465cd5399a932f7221343c07c9942b0fe644c", submodules=True)
+    version("0.8.0", commit="2daf8407e49dd32ebd1c266e8e944e390d28b22a", submodules=True)
+    version("develop", branch="develop", submodules=True)
+
+    variant("cuda", default=False, description="Enable CUDA backend for SYCL kernels")
+
+    depends_on("[email protected]:", type="build")
+    depends_on("boost +filesystem", when="@:0.8")
+    depends_on("[email protected]: +filesystem +fiber +context cxxstd=17", when="@0.9.1:")
+    depends_on("python@3:")
+    # depends_on("llvm@8: +clang", when="~cuda")
+    # depends_on("llvm@9: +clang", when="+cuda")
+    # https://github.com/OpenSYCL/OpenSYCL/pull/918 was introduced after 0.9.4
+    conflicts("^llvm@16:", when="@:0.9.4")
+    # LLVM PTX backend requires cuda7:10.1 (https://tinyurl.com/v82k5qq)
+    depends_on("cuda@9:10.1", when="@0.8.1: +cuda ^llvm@9")
+    depends_on("cuda@9:", when="@0.8.1: +cuda ^llvm@10:")
+    # hipSYCL@:0.8.0 requires cuda@9:10.0 due to a known bug
+    depends_on("cuda@9:10.0", when="@:0.8.0 +cuda")
+
+    conflicts(
+        "%gcc@:4",
+        when="@:0.9.0",
+        msg="hipSYCL needs proper C++14 support to be built, %gcc is too old",
+    )
+    conflicts(
+        "%gcc@:8",
+        when="@0.9.1:",
+        msg="hipSYCL needs proper C++17 support to be built, %gcc is too old",
+    )
+    conflicts(
+        "^llvm build_type=Debug",
+        when="+cuda",
+        msg="LLVM debug builds don't work with hipSYCL CUDA backend; for "
+        "further info please refer to: "
+        "https://github.com/illuhad/hipSYCL/blob/master/doc/install-cuda.md",
+    )
+
+    def cmake_args(self):
+        spec = self.spec
+        args = [
+            "-DWITH_CPU_BACKEND:Bool=TRUE",
+            # TODO: no ROCm stuff available in spack yet
+            "-DWITH_ROCM_BACKEND:Bool=FALSE",
+            "-DWITH_CUDA_BACKEND:Bool={0}".format("TRUE" if "+cuda" in spec else "FALSE"),
+            # prevent hipSYCL's cmake to look for other LLVM installations
+            # if the specified one isn't compatible
+            "-DDISABLE_LLVM_VERSION_CHECK:Bool=TRUE",
+        ]
+        # LLVM directory containing all installed CMake files
+        # (e.g.: configs consumed by client projects)
+        llvm_cmake_dirs = filesystem.find(spec["llvm-amdgpu"].prefix, "LLVMExports.cmake")
+        if len(llvm_cmake_dirs) != 1:
+            raise InstallError(
+                "concretized llvm dependency must provide "
+                "a unique directory containing CMake client "
+                "files, found: {0}".format(llvm_cmake_dirs)
+            )
+        args.append("-DLLVM_DIR:String={0}".format(path.dirname(llvm_cmake_dirs[0])))
+        llvm_clang_include_dirs = filesystem.find(
+            spec["llvm-amdgpu"].prefix, "__clang_cuda_runtime_wrapper.h"
+        )
+        args.append(
+            "-DCLANG_INCLUDE_PATH:String={0}".format(path.dirname(llvm_clang_include_dirs[0]))
+        )
+        # clang internal headers directory
+        # target clang++ executable
+        llvm_clang_bin = path.join(spec["llvm-amdgpu"].prefix.bin, "clang++")
+        #if not filesystem.is_exe(llvm_clang_bin):
+        #    raise InstallError(
+        #        "concretized llvm dependency must provide a "
+        #        "valid clang++ executable, found invalid: "
+        #        "{0}".format(llvm_clang_bin)
+        #    )
+        args.append("-DCLANG_EXECUTABLE_PATH:String={0}".format(llvm_clang_bin))
+        # explicit CUDA toolkit
+        if "+cuda" in spec:
+            args.append("-DCUDA_TOOLKIT_ROOT_DIR:String={0}".format(spec["cuda"].prefix))
+        return args
+
+    @run_after("install")
+    def filter_config_file(self):
+        config_file_paths = filesystem.find(self.prefix, "syclcc.json")
+        if len(config_file_paths) != 1:
+            raise InstallError(
+                "installed hipSYCL must provide a unique compiler driver "
+                "configuration file, found: {0}".format(config_file_paths)
+            )
+        config_file_path = config_file_paths[0]
+        with open(config_file_path) as f:
+            config = json.load(f)
+        # 1. Fix compiler: use the real one in place of the Spack wrapper
+        config["default-cpu-cxx"] = self.compiler.cxx
+        # 2. Fix stdlib: we need to make sure cuda-enabled binaries find
+        #    the libc++.so and libc++abi.so dyn linked to the sycl
+        #    ptx backend
+        #rpaths = set()
+        #so_paths = filesystem.find_libraries(
+        #    "libc++", self.spec["llvm-amdgpu"].prefix, shared=True, recursive=True
+        #)
+        #if len(so_paths) != 1:
+        #    raise InstallError(
+        #        "concretized llvm dependency must provide a "
+        #        "unique directory containing libc++.so, "
+        #        "found: {0}".format(so_paths)
+        #    )
+        #rpaths.add(path.dirname(so_paths[0]))
+        #so_paths = filesystem.find_libraries(
+        #    "libc++abi", self.spec["llvm-amdgpu"].prefix, shared=True, recursive=True
+        #)
+        #if len(so_paths) != 1:
+        #    raise InstallError(
+        #        "concretized llvm dependency must provide a "
+        #        "unique directory containing libc++abi, "
+        #        "found: {0}".format(so_paths)
+        #    )
+        #rpaths.add(path.dirname(so_paths[0]))
+        #config["default-cuda-link-line"] += " " + " ".join("-rpath {0}".format(p) for p in rpaths)
+        ## Replace the installed config file
+        #with open(config_file_path, "w") as f:
+        #    json.dump(config, f, indent=2)
diff --git a/repo/packages/syclgromacs/gmxDetectCpu-cmake-3.14.patch b/repo/packages/syclgromacs/gmxDetectCpu-cmake-3.14.patch
@@ -0,0 +1,12 @@
+--- a/cmake/gmxDetectCpu.cmake
++++ b/cmake/gmxDetectCpu.cmake
+@@ -83,7 +83,7 @@ function(gmx_run_cpu_detection TYPE)
+                 set(GCC_INLINE_ASM_DEFINE "-DGMX_X86_GCC_INLINE_ASM=0")
+             endif()
+
+-            set(_compile_definitions "${GCC_INLINE_ASM_DEFINE} -I${PROJECT_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE}")
++            set(_compile_definitions ${GCC_INLINE_ASM_DEFINE} -I${PROJECT_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE})
+             set(LINK_LIBRARIES "${GMX_STDLIB_LIBRARIES}")
+             try_compile(CPU_DETECTION_COMPILED
+                 "${PROJECT_BINARY_DIR}"
+
diff --git a/repo/packages/syclgromacs/gmxDetectSimd-cmake-3.14.patch b/repo/packages/syclgromacs/gmxDetectSimd-cmake-3.14.patch
@@ -0,0 +1,11 @@
+--- a/cmake/gmxDetectSimd.cmake
++++ b/cmake/gmxDetectSimd.cmake
+@@ -77,7 +77,7 @@ function(gmx_suggest_simd _suggested_simd)
+     else()
+         set(GMX_TARGET_X86_VALUE 0)
+     endif()
+-    set(_compile_definitions "${GCC_INLINE_ASM_DEFINE} -I${CMAKE_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE}")
++    set(_compile_definitions ${GCC_INLINE_ASM_DEFINE} -I${CMAKE_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE})
+
+     # Prepare a default suggestion
+     set(OUTPUT_SIMD "None")