new package(s): DAMASK (damask, damask-grid, damask-mesh) (#25692)
This commit is contained in:
Martin Diehl
GitHub
parent
c75e84e9f3
commit
f32feeee45
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--- DAMASK.orig/CMakeLists.txt 2021-08-30 07:46:00.432886577 +0200
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+++ DAMASK/CMakeLists.txt 2021-08-30 08:21:42.249937025 +0200
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@@ -38,11 +38,14 @@
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endif ()
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# Predefined sets for OPTIMIZATION/OPENMP based on BUILD_TYPE
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-if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
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+string(TOUPPER "${CMAKE_BUILD_TYPE}" CMAKE_BUILD_TYPE)
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+if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR
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+ CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
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set (DEBUG_FLAGS "${DEBUG_FLAGS} -DDEBUG")
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set (PARALLEL "OFF")
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set (OPTI "OFF")
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-elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE")
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+elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE" OR
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+ CMAKE_BUILD_TYPE STREQUAL "DEBUGRELEASE")
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set (PARALLEL "ON")
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set (OPTI "DEFENSIVE")
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elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE")
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37
var/spack/repos/builtin/packages/damask-grid/package.py
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37
var/spack/repos/builtin/packages/damask-grid/package.py
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# Copyright 2013-2021 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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class DamaskGrid(CMakePackage):
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"""Grid solver for DAMASK"""
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homepage = "https://damask3.mpie.de"
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url = "https://damask3.mpie.de/download/damask-3.0.0.tar.xz"
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maintainers = ['MarDieh']
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version('3.0.0-alpha4', sha256='0bb8bde43b27d852b1fb6e359a7157354544557ad83d87987b03f5d629ce5493')
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depends_on('cmake@3.10:', type='build')
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depends_on('petsc+fftw@3.14.0:3.14.99,3.15.1:3.15.99')
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depends_on('hdf5+fortran')
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patch('CMakeDebugRelease.patch', when='@3.0.0-alpha4')
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variant('build_type', default='DebugRelease',
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description='The build type to build',
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values=('Debug', 'Release', 'DebugRelease'))
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def cmake_args(self):
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args = ['-DDAMASK_SOLVER:STRING=grid']
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return args
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@run_after('install')
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@on_package_attributes(run_tests=True)
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def execute(self):
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damask_grid = Executable('DAMASK_grid')
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damask_grid('--help')
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--- DAMASK.orig/CMakeLists.txt 2021-08-30 07:46:00.432886577 +0200
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+++ DAMASK/CMakeLists.txt 2021-08-30 08:21:42.249937025 +0200
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@@ -38,11 +38,14 @@
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endif ()
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# Predefined sets for OPTIMIZATION/OPENMP based on BUILD_TYPE
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-if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
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+string(TOUPPER "${CMAKE_BUILD_TYPE}" CMAKE_BUILD_TYPE)
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+if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR
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+ CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
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set (DEBUG_FLAGS "${DEBUG_FLAGS} -DDEBUG")
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set (PARALLEL "OFF")
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set (OPTI "OFF")
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-elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE")
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+elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE" OR
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+ CMAKE_BUILD_TYPE STREQUAL "DEBUGRELEASE")
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set (PARALLEL "ON")
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set (OPTI "DEFENSIVE")
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elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE")
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37
var/spack/repos/builtin/packages/damask-mesh/package.py
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var/spack/repos/builtin/packages/damask-mesh/package.py
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# Copyright 2013-2021 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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class DamaskMesh(CMakePackage):
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"""Mesh solver for DAMASK"""
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homepage = "https://damask3.mpie.de"
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url = "https://damask3.mpie.de/download/damask-3.0.0.tar.xz"
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maintainers = ['MarDieh']
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version('3.0.0-alpha4', sha256='0bb8bde43b27d852b1fb6e359a7157354544557ad83d87987b03f5d629ce5493')
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depends_on('cmake@3.10:', type='build')
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depends_on('petsc@3.14.0:3.14.99,3.15.1:3.15.99')
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depends_on('hdf5+fortran')
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patch('CMakeDebugRelease.patch', when='@3.0.0-alpha4')
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variant('build_type', default='DebugRelease',
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description='The build type to build',
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values=('Debug', 'Release', 'DebugRelease'))
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def cmake_args(self):
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args = ['-DDAMASK_SOLVER:STRING=mesh']
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return args
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@run_after('install')
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@on_package_attributes(run_tests=True)
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def execute(self):
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damask_mesh = Executable('DAMASK_mesh')
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damask_mesh('--help')
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32
var/spack/repos/builtin/packages/damask/package.py
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var/spack/repos/builtin/packages/damask/package.py
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# Copyright 2013-2021 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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class Damask(BundlePackage):
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"""
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DAMASK - The Duesseldorf Advanced Material Simulation Kit
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A unified multi-physics crystal plasticity simulation package. The solution of
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continuum mechanical boundary value problems requires a constitutive response
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that connects deformation and stress at each material point. This problem is
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solved in DAMASK on the basis of crystal plasticity using a variety of constitutive
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models and homogenization approaches. However, treating mechanics in isolation is
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no longer sufficient to study emergent advanced high-strength materials. In these
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materials, deformation happens interrelated with displacive phase transformation,
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significant heating, and potential damage evolution. Therefore, DAMASK is capable
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of handling multi-physics problems. Following a modular approach, additional field
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equations are solved in a fully coupled way using a staggered approach.
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"""
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homepage = "https://damask3.mpie.de"
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maintainers = ['MarDieh']
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version('3.0.0-alpha4')
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depends_on('damask-grid@3.0.0-alpha4', when='@3.0.0-alpha4', type='run')
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depends_on('damask-mesh@3.0.0-alpha4', when='@3.0.0-alpha4', type='run')
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depends_on('py-damask@3.0.0-alpha4', when='@3.0.0-alpha4', type='run')
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25
var/spack/repos/builtin/packages/py-damask/package.py
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25
var/spack/repos/builtin/packages/py-damask/package.py
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# Copyright 2013-2021 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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class PyDamask(PythonPackage):
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"""Pre- and post-processing tools for DAMASK"""
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homepage = "https://damask3.mpie.de"
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url = "https://damask3.mpie.de/download/damask-3.0.0.tar.xz"
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maintainers = ['MarDieh']
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version('3.0.0-alpha4', sha256='0bb8bde43b27d852b1fb6e359a7157354544557ad83d87987b03f5d629ce5493')
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depends_on('python@3.7:', type=('build', 'run'))
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depends_on('vtk+python')
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depends_on('py-pandas')
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depends_on('py-scipy')
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depends_on('py-h5py')
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depends_on('py-matplotlib')
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depends_on('py-pyyaml')
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build_directory = 'python'
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