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Singularity-EOS update (#41333)

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* singularity-eos: deprecate v1.6 versions and remove unused code
* singularity-eos: add v1.8.0
This commit is contained in:
Richard Berger 2023-11-30 13:55:25 -07:00 committed by GitHub
parent e420441bc2
commit 5be3ca396b
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 50 additions and 44 deletions
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94
var/spack/repos/builtin/packages/singularity-eos/package.py
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@ -19,9 +19,18 @@ class SingularityEos(CMakePackage, CudaPackage):
maintainers("rbberger")
version("main", branch="main")
version("1.8.0", sha256="1f1ec496f714aa23cc7003c88a85bd10d0e53e37659ba7310541248e48a66558")
version("1.7.0", sha256="ce0825db2e9d079503e98cecf1c565352be696109042b3a0941762b35f36dc49")
version("1.6.2", sha256="9c85fca679139a40cc9c72fcaeeca78a407cc1ca184734785236042de364b942")
version("1.6.1", sha256="c6d92dfecf9689ffe2df615791c039f7e527e9f47799a862e26fa4e3420fe5d7")
version(
"1.6.2",
sha256="9c85fca679139a40cc9c72fcaeeca78a407cc1ca184734785236042de364b942",
deprecated=True,
)
version(
"1.6.1",
sha256="c6d92dfecf9689ffe2df615791c039f7e527e9f47799a862e26fa4e3420fe5d7",
deprecated=True,
)
# build with kokkos, kokkos-kernels for offloading support
variant("kokkos", default=False, description="Enable kokkos")
@ -47,20 +56,36 @@ class SingularityEos(CMakePackage, CudaPackage):
# build the Python bindings
variant("python", default=False, description="Enable building Python bindings")
variant("eospac", default=True, description="Pull in EOSPAC")
variant("eospac", default=True, description="Enable EOSPAC for table reads")
variant("hdf5", default=False, description="Enable HDF5 support")
variant("spiner", default=True, description="Use Spiner")
variant("closure", default=True, description="Build closure module")
# building/testing/docs
depends_on("cmake@3.14:", type="build")
depends_on("catch2@2.13.7", type="test")
depends_on("cmake@3.19:", type="build")
depends_on("python@3:", when="+python")
depends_on("py-pybind11@2.9.1:", when="+python")
depends_on("catch2@2.13.7", type="test")
depends_on("py-numpy", type="test")
# linear algebra when not using GPUs
depends_on("eigen@3.3.8", when="~cuda")
depends_on("eigen@3.3.8", when="~kokkos-kernels~cuda")
depends_on("eospac", when="+eospac")
depends_on("spiner")
depends_on("spiner +kokkos", when="+kokkos")
depends_on("ports-of-call@1.4.2,1.5.2:", when="@:1.7.0")
depends_on("ports-of-call@1.5.2:", when="@1.7.1:")
depends_on("ports-of-call@main", when="@main")
depends_on("spiner +kokkos", when="+kokkos+spiner")
depends_on("spiner +hdf5", when="+hdf5+spiner")
depends_on("spiner@:1.6.0", when="@:1.7.0 +spiner")
depends_on("spiner@1.6.1:", when="@1.8.0: +spiner")
depends_on("spiner@main", when="@main +spiner")
depends_on("mpark-variant")
depends_on(
@ -72,14 +97,18 @@ class SingularityEos(CMakePackage, CudaPackage):
when="+cuda",
)
for _myver, _kver in zip(("@:1.6.2", "@1.7.0:"), ("@3.2:", "@3.3:")):
depends_on("kokkos" + _kver, when=_myver + "+kokkos")
depends_on("kokkos-kernels" + _kver, when=_myver + "+kokkos-kernels")
# set up kokkos offloading dependencies
for _flag in ("~cuda", "+cuda", "~openmp", "+openmp"):
depends_on("kokkos@3.2: ~shared" + _flag, when="+kokkos" + _flag)
depends_on("kokkos-kernels@3.2:" + _flag, when="+kokkos-kernels" + _flag)
depends_on("kokkos ~shared" + _flag, when="+kokkos" + _flag)
depends_on("kokkos-kernels" + _flag, when="+kokkos-kernels" + _flag)
depends_on("spiner" + _flag, when="+kokkos" + _flag)
# specfic specs when using GPU/cuda offloading
depends_on("kokkos +wrapper+cuda_lambda+cuda_relocatable_device_code", when="+cuda+kokkos")
depends_on("kokkos +wrapper+cuda_lambda", when="+cuda+kokkos")
# fix for older spacks
if spack.version.Version(spack.spack_version) >= spack.version.Version("0.17"):
@ -92,19 +121,21 @@ class SingularityEos(CMakePackage, CudaPackage):
conflicts("cuda_arch=none", when="+cuda", msg="CUDA architecture is required")
# NOTE: we can do depends_on("libfoo cppflags='-fPIC -O2'") for compiler options
# these are mirrored in the cmake configuration
conflicts("+cuda", when="~kokkos")
conflicts("+openmp", when="~kokkos")
conflicts("+kokkos-kernels", when="~kokkos")
conflicts("+hdf5", when="~spiner")
conflicts("+fortran", when="~closure")
# NOTE: these are set so that dependencies in downstream projects share
# common MPI dependence
for _flag in ("~mpi", "+mpi"):
depends_on("hdf5~cxx+hl" + _flag, when=_flag)
depends_on("hdf5~cxx+hl" + _flag, when="+hdf5" + _flag)
depends_on("py-h5py" + _flag, when="@:1.6.2 " + _flag)
# can be removed once <1.8.0 versions have been removed
def flag_handler(self, name, flags):
if name == "fflags":
if self.spec.satisfies("%cce+fortran"):
@ -122,8 +153,10 @@ def cmake_args(self):
self.define_from_variant("SINGULARITY_USE_KOKKOS", "kokkos"),
self.define_from_variant("SINGULARITY_USE_KOKKOSKERNELS", "kokkos-kernels"),
self.define_from_variant("SINGULARITY_USE_FORTRAN", "fortran"),
self.define_from_variant("SINGULARITY_BUILD_CLOSURE", "fortran"),
self.define_from_variant("SINGULARITY_BUILD_CLOSURE", "closure"),
self.define_from_variant("SINGULARITY_BUILD_PYTHON", "python"),
self.define_from_variant("SINGULARITY_USE_SPINER", "spiner"),
self.define_from_variant("SINGULARITY_USE_SPINER_WITH_HDF5", "hdf5"),
self.define("SINGULARITY_BUILD_TESTS", self.run_tests),
self.define(
"SINGULARITY_BUILD_SESAME2SPINER",
@ -142,8 +175,8 @@ def cmake_args(self):
("stellarcollapse" in self.spec.variants["build_extra"].value and self.run_tests),
),
self.define("SINGULARITY_TEST_PYTHON", ("+python" in self.spec and self.run_tests)),
self.define("SINGULARITY_USE_HDF5", "^hdf5" in self.spec),
self.define("SINGULARITY_USE_EOSPAC", "^eospac" in self.spec),
self.define_from_variant("SINGULARITY_USE_HDF5", "hdf5"),
self.define_from_variant("SINGULARITY_USE_EOSPAC", "eospac"),
]
if "+kokkos+cuda" in self.spec:
@ -151,34 +184,7 @@ def cmake_args(self):
return args
# specify the name of the auto-generated cmake cache config
@property
def cmake_config_fname(self):
return "singularity-eos_spackconfig.cmake"
# generate the pre-configured cmake cache file that reflects the spec options
# NOTE: this file isn't replaced if the same spec is already installed -
# you may need to uninstall the old spec first
@run_after("cmake")
def generate_cmake_configuration(self):
config_fname = self.cmake_config_fname
cmake_config = self.cmake_args()
with working_dir("cmake-gen", create=True):
with open(config_fname, "w") as cmc:
for arg in cmake_config:
kt, v = arg.replace("-D", "").split("=")
k, t = kt.split(":")
cmc.write('set({} "{}" CACHE {} "" FORCE)\n'.format(k, v, t))
install(config_fname, join_path(prefix, config_fname))
# run when loaded
# NOTE: to use:
# cmake -C $SINGULARITY_SPACK_CMAKE_CONFIG ...
def setup_run_environment(self, env):
env.set(
"SINGULARITY_SPACK_CMAKE_CONFIG", os.path.join(self.prefix, self.cmake_config_fname)
)
if os.path.isdir(self.prefix.lib64):
lib_dir = self.prefix.lib64
else: