new package: singularity-eos (#31500)
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Richard Berger
GitHub
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var/spack/repos/builtin/packages/singularity-eos/package.py
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181
var/spack/repos/builtin/packages/singularity-eos/package.py
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# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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import os
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from spack.package import *
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class SingularityEos(CMakePackage, CudaPackage):
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"""Singularity-EOS: A collection of closure models and tools useful for
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multiphysics codes."""
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homepage = "https://lanl.github.io/singularity-eos/main/index.html"
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git = "https://github.com/lanl/singularity-eos.git"
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url = "https://github.com/lanl/singularity-eos/archive/refs/tags/release-1.6.1.tar.gz"
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maintainers = ['rbberger']
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version("main", branch="main")
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version('1.6.1', sha256='c6d92dfecf9689ffe2df615791c039f7e527e9f47799a862e26fa4e3420fe5d7')
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# build with kokkos, kokkos-kernels for offloading support
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variant("kokkos", default=False, description="Enable kokkos")
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variant("kokkos-kernels", default=False, description="Enable kokkos-kernals for linear algebra")
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variant("openmp", default=False, description="Enable openmp")
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# for compatibility with downstream projects
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variant("mpi", default=False, description="Build with MPI support")
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# build converters for sesame, stellarcollapse eos's
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variant("build_extra", description="Build converters", values=any_combination_of("sesame", "stellarcollapse").with_default("none"))
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# build tests
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variant("tests", default=False, description="Build tests")
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# build the Fortran interface
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variant("fortran", default=True, description="Enable building fortran interface")
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# build the Python bindings
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variant("python", default=False, description="Enable building Python bindings")
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# build the documentation
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variant("doc", default=False, description="Sphinx Documentation Support")
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# include depedencies for automatic code formatting (i.e. clang-format)
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variant("format", default=False, description="Clang-Format Support")
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variant("eospac", default=True, description="Pull in EOSPAC")
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# building/testing/docs
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depends_on("cmake@3.14:")
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depends_on("catch2@2.13.7", when="+tests")
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depends_on("python@3:", when="+python")
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# depends_on("py-h5py", when="+tests build_extra=stellarcollapse")
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depends_on("py-sphinx", when="+doc")
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depends_on("py-sphinx-rtd-theme@0.4.3", when="+doc")
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depends_on("py-sphinx-multiversion", when="+doc")
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depends_on('llvm@12.0.0+clang', when='+format')
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# linear algebra when not using GPUs
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depends_on("eigen@3.3.8", when="~cuda")
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depends_on("eospac", when="+eospac")
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depends_on("spiner")
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depends_on("spiner +kokkos", when="+kokkos")
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depends_on("mpark-variant")
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depends_on("mpark-variant",
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patches=patch("https://raw.githubusercontent.com/lanl/singularity-eos/main/utils/cuda_compatibility.patch",
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sha256="7b3eaa52b5ab23dc45fbfb456528e36742e04b838a5df859eca96c4e8274bb38"),
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when="+cuda")
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# set up kokkos offloading dependencies
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for _flag in ("~cuda", "+cuda", "~openmp", "+openmp"):
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depends_on("kokkos@3.2: ~shared" + _flag, when="+kokkos" + _flag)
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depends_on("kokkos-kernels@3.2:" + _flag, when="+kokkos-kernels" + _flag)
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depends_on("spiner" + _flag, when="+kokkos" + _flag)
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# specfic specs when using GPU/cuda offloading
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depends_on("kokkos +wrapper+cuda_lambda+cuda_relocatable_device_code", when="+cuda+kokkos")
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# fix for older spacks
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if spack.version.Version(spack.spack_version) >= spack.version.Version("0.17"):
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depends_on("kokkos-kernels ~shared", when="+kokkos-kernels")
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for _flag in list(CudaPackage.cuda_arch_values):
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depends_on("kokkos cuda_arch=" + _flag, when="+cuda+kokkos cuda_arch=" + _flag)
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depends_on("kokkos-kernels cuda_arch=" + _flag, when="+cuda+kokkos cuda_arch=" + _flag)
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depends_on("spiner cuda_arch=" + _flag, when="+cuda+kokkos cuda_arch=" + _flag)
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conflicts("cuda_arch=none", when="+cuda", msg="CUDA architecture is required")
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# NOTE: we can do depends_on("libfoo cppflags='-fPIC -O2'") for compiler options
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# these are mirrored in the cmake configuration
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conflicts("+cuda", when="~kokkos")
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conflicts("+openmp", when="~kokkos")
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conflicts("+kokkos-kernels", when="~kokkos")
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# NOTE: these are set so that dependencies in downstream projects share
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# common MPI dependence
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for _flag in ("~mpi", "+mpi"):
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depends_on("hdf5~cxx+hl" + _flag, when=_flag)
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depends_on("py-h5py" + _flag, when="+tests build_extra=stellarcollapse " + _flag)
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# depends_on("hdf5+hl" + _flag, when=_flag)
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depends_on("py-h5py" + _flag, when=_flag)
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depends_on("kokkos-nvcc-wrapper" + _flag, when="+cuda+kokkos" + _flag)
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def cmake_args(self):
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args = [
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self.define("SINGULARITY_PATCH_MPARK_VARIANT", False),
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self.define_from_variant("SINGULARITY_USE_CUDA", "cuda"),
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self.define_from_variant("SINGULARITY_USE_KOKKOS", "kokkos"),
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self.define_from_variant("SINGULARITY_USE_KOKKOSKERNELS", "kokkos-kernels"),
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self.define_from_variant("SINGULARITY_USE_FORTRAN", "fortran"),
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self.define_from_variant("SINGULARITY_BUILD_CLOSURE", "fortran"),
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self.define_from_variant("SINGULARITY_BUILD_PYTHON", "python"),
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self.define_from_variant("SINGULARITY_BUILD_TESTS", "tests"),
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self.define("SINGULARITY_BUILD_SESAME2SPINER",
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"sesame" in self.spec.variants["build_extra"]),
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self.define("SINGULARITY_TEST_SESAME",
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("sesame" in self.spec.variants["build_extra"] and
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"tests" in self.spec)),
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self.define("SINGULARITY_BUILD_STELLARCOLLAPSE2SPINER",
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"stellarcollapse" in self.spec.variants["build_extra"]),
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self.define("SINGULARITY_TEST_STELLARCOLLAPSE2SPINER",
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("stellarcollapse" in self.spec.variants["build_extra"] and
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"tests" in self.spec)),
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self.define("SINGULARITY_TEST_PYTHON",
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("python" in self.spec and "tests" in self.spec)),
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self.define("SINGULARITY_USE_HDF5", "^hdf5" in self.spec),
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self.define("SINGULARITY_USE_EOSPAC", "^eospac" in self.spec)
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]
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if '+kokkos+cuda' in self.spec:
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args.append(self.define("CMAKE_CXX_COMPILER",
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self.spec["kokkos"].kokkos_cxx))
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return args
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# specify the name of the auto-generated cmake cache config
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@property
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def cmake_config_fname(self):
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return "singularity-eos_spackconfig.cmake"
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# generate the pre-configured cmake cache file that reflects the spec options
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# NOTE: this file isn't replaced if the same spec is already installed -
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# you may need to uninstall the old spec first
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@run_after('cmake')
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def generate_cmake_configuration(self):
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config_fname = self.cmake_config_fname
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cmake_config = self.cmake_args()
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with working_dir("cmake-gen", create=True):
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with open(config_fname, "w") as cmc:
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for arg in cmake_config:
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kt, v = arg.replace("-D", "").split("=")
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k, t = kt.split(":")
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cmc.write("set({} \"{}\" CACHE {} \"\" FORCE)\n".format(k, v, t))
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install(config_fname, join_path(prefix, config_fname))
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# run when loaded
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# NOTE: to use:
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# cmake -C $SINGULARITY_SPACK_CMAKE_CONFIG ...
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def setup_run_environment(self, env):
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env.set("SINGULARITY_SPACK_CMAKE_CONFIG",
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os.path.join(self.prefix, self.cmake_config_fname))
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if os.path.isdir(self.prefix.lib64):
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lib_dir = self.prefix.lib64
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else:
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lib_dir = self.prefix.lib
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if '+python' in self.spec:
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python_version = self.spec['python'].version.up_to(2)
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python_inst_dir = join_path(lib_dir,
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'python{0}'.format(python_version),
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'site-packages')
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env.prepend_path('PYTHONPATH', python_inst_dir)
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