new package(s): DAMASK (damask, damask-grid, damask-mesh) (#25692)

var/spack/repos/builtin/packages/damask-grid/CMakeDebugRelease.patch

@@ -0,0 +1,19 @@
+--- DAMASK.orig/CMakeLists.txt	2021-08-30 07:46:00.432886577 +0200
++++ DAMASK/CMakeLists.txt	2021-08-30 08:21:42.249937025 +0200
+@@ -38,11 +38,14 @@
+ endif ()
+ 
+ # Predefined sets for OPTIMIZATION/OPENMP based on BUILD_TYPE
+-if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
++string(TOUPPER "${CMAKE_BUILD_TYPE}" CMAKE_BUILD_TYPE)
++if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR
++    CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
+     set (DEBUG_FLAGS "${DEBUG_FLAGS} -DDEBUG")
+     set (PARALLEL "OFF")
+     set (OPTI "OFF")
+-elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE")
++elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE" OR
++        CMAKE_BUILD_TYPE STREQUAL "DEBUGRELEASE")
+     set (PARALLEL "ON")
+     set (OPTI "DEFENSIVE")
+ elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE")

var/spack/repos/builtin/packages/damask-grid/package.py

@@ -0,0 +1,37 @@
+# Copyright 2013-2021 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)
+
+
+class DamaskGrid(CMakePackage):
+    """Grid solver for DAMASK"""
+
+    homepage = "https://damask3.mpie.de"
+    url      = "https://damask3.mpie.de/download/damask-3.0.0.tar.xz"
+
+    maintainers = ['MarDieh']
+
+    version('3.0.0-alpha4', sha256='0bb8bde43b27d852b1fb6e359a7157354544557ad83d87987b03f5d629ce5493')
+
+    depends_on('cmake@3.10:', type='build')
+    depends_on('petsc+fftw@3.14.0:3.14.99,3.15.1:3.15.99')
+    depends_on('hdf5+fortran')
+
+    patch('CMakeDebugRelease.patch', when='@3.0.0-alpha4')
+
+    variant('build_type', default='DebugRelease',
+            description='The build type to build',
+            values=('Debug', 'Release', 'DebugRelease'))
+
+    def cmake_args(self):
+
+        args = ['-DDAMASK_SOLVER:STRING=grid']
+        return args
+
+    @run_after('install')
+    @on_package_attributes(run_tests=True)
+    def execute(self):
+
+        damask_grid = Executable('DAMASK_grid')
+        damask_grid('--help')

var/spack/repos/builtin/packages/damask-mesh/CMakeDebugRelease.patch

@@ -0,0 +1,19 @@
+--- DAMASK.orig/CMakeLists.txt	2021-08-30 07:46:00.432886577 +0200
++++ DAMASK/CMakeLists.txt	2021-08-30 08:21:42.249937025 +0200
+@@ -38,11 +38,14 @@
+ endif ()
+ 
+ # Predefined sets for OPTIMIZATION/OPENMP based on BUILD_TYPE
+-if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
++string(TOUPPER "${CMAKE_BUILD_TYPE}" CMAKE_BUILD_TYPE)
++if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR
++    CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
+     set (DEBUG_FLAGS "${DEBUG_FLAGS} -DDEBUG")
+     set (PARALLEL "OFF")
+     set (OPTI "OFF")
+-elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE")
++elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE" OR
++        CMAKE_BUILD_TYPE STREQUAL "DEBUGRELEASE")
+     set (PARALLEL "ON")
+     set (OPTI "DEFENSIVE")
+ elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE")

var/spack/repos/builtin/packages/damask-mesh/package.py

@@ -0,0 +1,37 @@
+# Copyright 2013-2021 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)
+
+
+class DamaskMesh(CMakePackage):
+    """Mesh solver for DAMASK"""
+
+    homepage = "https://damask3.mpie.de"
+    url      = "https://damask3.mpie.de/download/damask-3.0.0.tar.xz"
+
+    maintainers = ['MarDieh']
+
+    version('3.0.0-alpha4', sha256='0bb8bde43b27d852b1fb6e359a7157354544557ad83d87987b03f5d629ce5493')
+
+    depends_on('cmake@3.10:', type='build')
+    depends_on('petsc@3.14.0:3.14.99,3.15.1:3.15.99')
+    depends_on('hdf5+fortran')
+
+    patch('CMakeDebugRelease.patch', when='@3.0.0-alpha4')
+
+    variant('build_type', default='DebugRelease',
+            description='The build type to build',
+            values=('Debug', 'Release', 'DebugRelease'))
+
+    def cmake_args(self):
+
+        args = ['-DDAMASK_SOLVER:STRING=mesh']
+        return args
+
+    @run_after('install')
+    @on_package_attributes(run_tests=True)
+    def execute(self):
+
+        damask_mesh = Executable('DAMASK_mesh')
+        damask_mesh('--help')

var/spack/repos/builtin/packages/damask/package.py

@@ -0,0 +1,32 @@
+# Copyright 2013-2021 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)
+
+
+class Damask(BundlePackage):
+    """
+    DAMASK - The Duesseldorf Advanced Material Simulation Kit
+
+    A unified multi-physics crystal plasticity simulation package. The solution of
+    continuum mechanical boundary value problems requires a constitutive response
+    that connects deformation and stress at each material point. This problem is
+    solved in DAMASK on the basis of crystal plasticity using a variety of constitutive
+    models and homogenization approaches. However, treating mechanics in isolation is
+    no longer sufficient to study emergent advanced high-strength materials. In these
+    materials, deformation happens interrelated with displacive phase transformation,
+    significant heating, and potential damage evolution. Therefore, DAMASK is capable
+    of handling multi-physics problems. Following a modular approach, additional field
+    equations are solved in a fully coupled way using a staggered approach.
+
+    """
+
+    homepage = "https://damask3.mpie.de"
+
+    maintainers = ['MarDieh']
+
+    version('3.0.0-alpha4')
+
+    depends_on('damask-grid@3.0.0-alpha4', when='@3.0.0-alpha4', type='run')
+    depends_on('damask-mesh@3.0.0-alpha4', when='@3.0.0-alpha4', type='run')
+    depends_on('py-damask@3.0.0-alpha4',   when='@3.0.0-alpha4', type='run')

var/spack/repos/builtin/packages/py-damask/package.py

@@ -0,0 +1,25 @@
+# Copyright 2013-2021 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)
+
+
+class PyDamask(PythonPackage):
+    """Pre- and post-processing tools for DAMASK"""
+
+    homepage = "https://damask3.mpie.de"
+    url      = "https://damask3.mpie.de/download/damask-3.0.0.tar.xz"
+
+    maintainers = ['MarDieh']
+
+    version('3.0.0-alpha4', sha256='0bb8bde43b27d852b1fb6e359a7157354544557ad83d87987b03f5d629ce5493')
+
+    depends_on('python@3.7:', type=('build', 'run'))
+    depends_on('vtk+python')
+    depends_on('py-pandas')
+    depends_on('py-scipy')
+    depends_on('py-h5py')
+    depends_on('py-matplotlib')
+    depends_on('py-pyyaml')
+
+    build_directory = 'python'