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@c0sm0-kramer
c0sm0-kramer authored Aug 14, 2023
2 parents 9703866 + 9f3c8d6 commit bd6f98e
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1 change: 1 addition & 0 deletions CHANGELOG.md
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Expand Up @@ -5,6 +5,7 @@

### Fixed (Repair bugs, etc)
- [[PR292]](https://github.com/lanl/singularity-eos/pull/292) Added Carnahan-Starling EoS
- [[PR291]](https://github.com/lanl/singularity-eos/pull/291) package.py updates to reflect new CMake options
- [[PR290]](https://github.com/lanl/singularity-eos/pull/290) Added target guards on export config
- [[PR288]](https://github.com/lanl/singularity-eos/pull/288) Don't build tests that depend on spiner when spiner is disabled
- [[PR287]](https://github.com/lanl/singularity-eos/pull/287) Fix testing logic with new HDF5 options
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6 changes: 2 additions & 4 deletions CMakeLists.txt
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Expand Up @@ -11,9 +11,6 @@
# publicly and display publicly, and to permit others to do so.
# ------------------------------------------------------------------------------#

# We want to stay near to latest, as more compilers and third-party libraries
# are supported. However, uptake of new CMake releases can be slow. 20230403:
# version 3.19 is available on all testing platforms
cmake_minimum_required(VERSION 3.19)

# Disable "in-source" builds
Expand Down Expand Up @@ -51,9 +48,10 @@ option(SINGULARITY_USE_FORTRAN "Enable fortran bindings" ON)
option(SINGULARITY_USE_KOKKOS "Use Kokkos for portability" OFF)
option(SINGULARITY_USE_EOSPAC "Enable eospac backend" OFF)

#TODO This should be dependent option (or fortran option)
option(SINGULARITY_BUILD_CLOSURE "Mixed Cell Closure" ON)

cmake_dependent_option(SINGULARITY_USE_CUDA "Use CUDA backend of Kokkos" ON
cmake_dependent_option(SINGULARITY_USE_CUDA "Use CUDA backend of Kokkos" OFF
"SINGULARITY_USE_KOKKOS" OFF)
cmake_dependent_option(
SINGULARITY_USE_KOKKOSKERNELS "Use KokkosKernels for LA routines" ON
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12 changes: 6 additions & 6 deletions doc/sphinx/src/building.rst
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Overview
========
Building `singularity-eos`
==========================

The ``singularity-eos`` build system is designed with two goals in mind

Expand Down Expand Up @@ -53,15 +53,15 @@ Dependencies
====================================== =============================== ===========================================
Package Name Distribution Comment
====================================== =============================== ===========================================
`spiner`_ submodule [*]_ / external [*]_ Required
`ports-of-call`_ submodule / external Required
`mpark_variant`_ submodule / external Required
`spiner`_ submodule [*]_ / external [*]_ Optional; enhanced backend for EOS tables
`hdf5`_ external only Optional; used for table I/O
`eospac`_ external only Optional; used for sesame tables.
`kokkos`_ submodule / external Optional; enables GPU offloading.
`Eigen`_ submodule / external Optional; used for linear algebra on the CPU when doing mixed-cell closures.
`kokkos-kernels`_ submodule / external Optional; used for linear algebra on the GPU when doing mixed-cell closures.
`pybind11`_ external / fetchable [*]_ Optional;
`pybind11`_ external / fetchable [*]_ Optional
====================================== =============================== ===========================================

.. [*] availible as a git submodule for in-tree builds
Expand Down Expand Up @@ -105,6 +105,7 @@ The main CMake options to configure building are in the following table:
``SINGULARITY_USE_FORTRAN`` ON Enable Fortran API for equation of state.
``SINGULARITY_USE_KOKKOS`` OFF Uses Kokkos as the portability backend. Currently only Kokkos is supported for GPUs.
``SINGULARITY_USE_EOSPAC`` OFF Link against EOSPAC. Needed for sesame2spiner and some tests.
``SINGULARITY_BUILD_CLOSURE`` OFF Build the mixed cell closure models
``SINGULARITY_BUILD_TESTS`` OFF Build test infrastructure.
``SINGULARITY_BUILD_PYTHON`` OFF Build Python bindings.
``SINGULARITY_INVERT_AT_SETUP`` OFF For tests, pre-invert eospac tables.
Expand Down Expand Up @@ -146,8 +147,7 @@ preconditions:
============================================== ================================================================================= ===========================================
``SINGULARITY_USE_SPINER_WITH_HDF5`` ``SINGULARITY_USE_SPINER=ON`` Requests that ``spiner`` be configured for ``HDF5`` support.
``SINGULARITY_USE_CUDA`` ``SINGULARITY_USE_KOKKOS=ON`` Target nvidia GPUs for ``Kokkos`` offloading.
``SINGULARITY_USE_KOKKOSKERNELS`` ``SINGULARITY_USE_KOKKOS=ON`` Use Kokkos Kernels for linear algebra. Needed for mixed cell closure models on GPU.
``SINGULARITY_BUILD_CLOSURE`` ``SINGULARITY_USE_KOKKOS=ON`` ``SINGULARITY_USE_KOKKOSKERNELS=ON`` Mixed cell closure.
``SINGULARITY_USE_KOKKOSKERNELS`` ``SINGULARITY_USE_KOKKOS=ON`` ``SINGULARITY_BUILD_CLOSURE=ON`` Use Kokkos Kernels for linear algebra. Needed for mixed cell closure models on GPU.
``SINGULARITY_BUILD_SESAME2SPINER`` ``SINGULARITY_USE_SPINER=ON`` ``SINGULARITY_USE_SPINER_WITH_HDF5=ON`` Builds the conversion tool sesame2spiner which makes files readable by SpinerEOS.
``SINGULARITY_BUILD_STELLARCOLLAPSE2SPINER`` ``SINGULARITY_USE_SPINER=ON`` ``SINGULARITY_USE_SPINER_WITH_HDF5=ON`` Builds the conversion tool stellarcollapse2spiner which optionally makes stellar collapse files faster to read.
``SINGULARITY_TEST_SESAME`` ``SINGULARITY_BUILD_TESTS=ON`` ``SINGULARITY_BUILD_SESAME2SPINER=ON`` Test the Sesame table readers.
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71 changes: 27 additions & 44 deletions spack-repo/packages/singularity-eos/package.py
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Expand Up @@ -58,8 +58,12 @@ class SingularityEos(CMakePackage, CudaPackage):
# configuration
variant("hdf5", default=False, description="Use hdf5")

variant("spiner", default=True, description="Use Spiner")

variant("closure", default=True, description="Build closure module")

# building/testing/docs
depends_on("cmake@3.14:")
depends_on("cmake@3.19:")
depends_on("catch2@2.13.7", when="+tests")
depends_on("python@3:", when="+python")
depends_on("py-numpy", when="+python+tests")
Expand All @@ -73,18 +77,18 @@ class SingularityEos(CMakePackage, CudaPackage):
# eospac when asked for
depends_on("eospac", when="+eospac")

depends_on("ports-of-call@1.4.2:", when="@:1.7.0")
depends_on("ports-of-call@1.5.1:", when="@1.7.1:")
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:")
# request HEAD of main branch
depends_on("ports-of-call@main", when="@main")

depends_on("spiner +kokkos", when="+kokkos")
depends_on("spiner +kokkos", when="+kokkos+spiner")
# tell spiner to use HDF5
depends_on("spiner +hdf5", when="+hdf5")
depends_on("spiner +hdf5", when="+hdf5+spiner")

depends_on("spiner@:1.6.0", when="@:1.7.0")
depends_on("spiner@1.6.1:", when="@1.7.1:") #TODO version
depends_on("spiner@main", when="@main")
depends_on("spiner@:1.6.0", when="@:1.7.0 +spiner")
depends_on("spiner@1.6.1:", when="@1.7.1: +spiner") #TODO version
depends_on("spiner@main", when="@main +spiner")

depends_on("mpark-variant")
depends_on(
Expand All @@ -96,9 +100,11 @@ class SingularityEos(CMakePackage, CudaPackage):
when="+cuda",
)


#TODO: do we need kokkos,kokkoskernels the exact same version?
for _myver,_kver in zip(("@:1.6.2","@1.7.0:"),("@3.2:","@3.3:")):
depends_on("kokkos" + _kver, when=_myver)
depends_on("kokkos-kernels" + _kver, when=_myver)
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"):
Expand All @@ -107,8 +113,9 @@ class SingularityEos(CMakePackage, CudaPackage):
depends_on("spiner" + _flag, when="+kokkos" + _flag)

# specfic specs when using GPU/cuda offloading
# TODO Do we need `+aggressive_vectorization`, `+cuda_constexpr`, `~compiler_warnings` ?
depends_on("kokkos +wrapper+cuda_lambda+cuda_relocatable_device_code", when="+cuda+kokkos")
# TODO remove +wrapper for clang builds
# TODO version guard +cuda_lambda
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"):
Expand All @@ -127,6 +134,10 @@ class SingularityEos(CMakePackage, CudaPackage):
conflicts("+cuda", when="~kokkos")
conflicts("+openmp", when="~kokkos")
conflicts("+kokkos-kernels", when="~kokkos")
conflicts("+hdf5", when="~spiner")

# TODO: @dholliday remove when sg_get_eos not singularity
conflicts("+fortran", when="~closure")

# NOTE: these are set so that dependencies in downstream projects share
# common MPI dependence
Expand All @@ -144,9 +155,9 @@ 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", "hdf5"),
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(
Expand All @@ -165,46 +176,18 @@ 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)),
# TODO: guard for older versions, remove for new versions(1.7<)
self.define("SINGULARITY_USE_HDF5", "^hdf5" in self.spec),
self.define("SINGULARITY_USE_EOSPAC", "^eospac" in self.spec),
]

#TODO: do we need this?
if "+kokkos+cuda" in self.spec:
args.append(self.define("CMAKE_CXX_COMPILER", self.spec["kokkos"].kokkos_cxx))

return args

# TODO everything past here may not be needed,
# except the pythonpath setting
#
# 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:
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