xsdk@0.5.0 (#13682)

Update:
 hypre@2.18.2
 mfem@4.0.1-xsdk
 superlu-dist@6.1.1
 trilinos@12.18.1
 - dtk-3.1
 petsc@3.12.1
 dealii@9.1.1
 pflotran@xsdk-0.5.0
 alquimia@xsdk-0.5.0
 sundials@5.0.0
 plasma@19.8.1
 magma@2.5.1
 amrex@19.08
 slepc@3.12.0
 omega-h@9.29.0
 strumpack@3.3.0
 pumi@2.2.1
 tasmanian@7.0
 phist@1.8.0

New:
 ginkgo@1.1.0
 py-libensemble@0.5.2
 precice@1.6.1
 butterflypack@1.1.0

Add variants:
 ginkgo
 libensemble
 precice
 butterflypack
 strumpack
 trilinos

tasmanian:  use ~openmp only on OSX
precice: disable on OSX
enable sundials+superlu-dist
sundials+superlu-dist requires OpenMP 4.5+ (so enable only for gcc@6.1+)
enable mfem+sundials
enable sundials+petsc+superlu_dist
remove hypre~internal-superlu
petsc: build with +batch on cray
precice: use ~petsc on cray
libensemble: add as runtime dependency for PYTHONPATH

3 files changed, 86 insertions, 25 deletions

diff --git a/var/spack/repos/builtin/packages/alquimia/package.py b/var/spack/repos/builtin/packages/alquimia/package.py
index 1484fc1fa5..16af43d085 100644
--- a/var/spack/repos/builtin/packages/alquimia/package.py
+++ b/var/spack/repos/builtin/packages/alquimia/package.py
@@ -16,6 +16,7 @@ class Alquimia(CMakePackage):
     maintainers = ['smolins', 'balay']
 
     version('develop')
+    version('xsdk-0.5.0', commit='8397c3b00a09534c5473ff3ab21f0e32bb159380')
     version('xsdk-0.4.0', commit='2edad6733106142d014bb6e6a73c2b21d5e3cf2d')
     version('xsdk-0.3.0', tag='xsdk-0.3.0')
     version('xsdk-0.2.0', tag='xsdk-0.2.0')
@@ -25,6 +26,7 @@ class Alquimia(CMakePackage):
 
     depends_on('mpi')
     depends_on('hdf5')
+    depends_on('pflotran@xsdk-0.5.0', when='@xsdk-0.5.0')
     depends_on('pflotran@xsdk-0.4.0', when='@xsdk-0.4.0')
     depends_on('pflotran@xsdk-0.3.0', when='@xsdk-0.3.0')
     depends_on('pflotran@xsdk-0.2.0', when='@xsdk-0.2.0')
diff --git a/var/spack/repos/builtin/packages/pflotran/package.py b/var/spack/repos/builtin/packages/pflotran/package.py
index bd772b741f..f2e3d41aaf 100644
--- a/var/spack/repos/builtin/packages/pflotran/package.py
+++ b/var/spack/repos/builtin/packages/pflotran/package.py
@@ -18,6 +18,7 @@ class Pflotran(AutotoolsPackage):
     maintainers = ['ghammond86', 'balay']
 
     version('develop')
+    version('xsdk-0.5.0', commit='98a959c591b72f73373febf5f9735d2c523b4c20')
     version('xsdk-0.4.0', commit='c851cbc94fc56a32cfdb0678f3c24b9936a5584e')
     version('xsdk-0.3.0', branch='release/xsdk-0.3.0')
     version('xsdk-0.2.0', commit='4da763c6136df57caff43f98c926433958cfdea6')
@@ -25,11 +26,11 @@ class Pflotran(AutotoolsPackage):
     depends_on('mpi')
     depends_on('hdf5@1.8.12:+mpi+fortran')
     depends_on('petsc@develop:+hdf5+metis', when='@develop')
+    depends_on('petsc@3.12:+hdf5+metis', when='@xsdk-0.5.0')
     depends_on('petsc@3.10:+hdf5+metis', when='@xsdk-0.4.0')
     depends_on('petsc@xsdk-0.2.0+hdf5+metis', when='@xsdk-0.2.0')
     depends_on('petsc@3.8.0:+hdf5+metis', when='@xsdk-0.3.0')
 
     @property
     def parallel(self):
-        return (self.spec.satisfies('@develop') or
-                self.spec.satisfies('@xsdk-0.4.0'))
+        return (self.spec.satisfies('@xsdk-0.4.0:'))
diff --git a/var/spack/repos/builtin/packages/xsdk/package.py b/var/spack/repos/builtin/packages/xsdk/package.py
index 8f1caa0a7c..8c80009afd 100644
--- a/var/spack/repos/builtin/packages/xsdk/package.py
+++ b/var/spack/repos/builtin/packages/xsdk/package.py
@@ -5,6 +5,7 @@
 
 
 from spack import *
+import sys
 
 
 class Xsdk(BundlePackage):
@@ -18,91 +19,129 @@ class Xsdk(BundlePackage):
     maintainers = ['balay', 'luszczek']
 
     version('develop')
+    version('0.5.0')
     version('0.4.0')
     version('0.3.0')
     version('xsdk-0.2.0')
 
     variant('debug', default=False, description='Compile in debug mode')
     variant('cuda', default=False, description='Enable CUDA dependent packages')
+    variant('trilinos', default=True, description='Enable trilinos package build')
     variant('omega-h', default=True, description='Enable omega-h package build')
+    variant('strumpack', default=True, description='Enable strumpack package build')
     variant('dealii', default=True, description='Enable dealii package build')
     variant('phist', default=True, description='Enable phist package build')
-
-    depends_on('hypre@develop~internal-superlu+superlu-dist+shared', when='@develop')
+    variant('ginkgo', default=True, description='Enable ginkgo package build')
+    variant('libensemble', default=True, description='Enable py-libensemble package build')
+    variant('precice', default=(sys.platform != 'darwin'),
+            description='Enable precice package build')
+    variant('butterflypack', default=True, description='Enable butterflypack package build')
+
+    depends_on('hypre@develop+superlu-dist+shared', when='@develop')
+    depends_on('hypre@2.18.2+superlu-dist+shared', when='@0.5.0')
     depends_on('hypre@2.15.1~internal-superlu', when='@0.4.0')
     depends_on('hypre@2.12.1~internal-superlu', when='@0.3.0')
     depends_on('hypre@xsdk-0.2.0~internal-superlu', when='@xsdk-0.2.0')
 
     depends_on('mfem@develop+mpi+hypre+superlu-dist+petsc~sundials+examples+miniapps', when='@develop')
+    depends_on('mfem@4.0.1-xsdk+mpi+hypre+superlu-dist+petsc+sundials+examples+miniapps', when='@0.5.0')
     depends_on('mfem@3.4.0+mpi+hypre+superlu-dist+petsc+sundials+examples+miniapps', when='@0.4.0')
     depends_on('mfem@3.3.2+mpi+hypre+superlu-dist+petsc+sundials+examples+miniapps', when='@0.3.0')
 
     depends_on('superlu-dist@develop', when='@develop')
+    depends_on('superlu-dist@6.1.1', when='@0.5.0')
     depends_on('superlu-dist@6.1.0', when='@0.4.0')
     depends_on('superlu-dist@5.2.2', when='@0.3.0')
     depends_on('superlu-dist@xsdk-0.2.0', when='@xsdk-0.2.0')
 
     depends_on('trilinos@develop+hypre+superlu-dist+metis+hdf5~mumps+boost~suite-sparse+tpetra+nox+ifpack2+zoltan2+amesos2~exodus+dtk+intrepid2+shards',
-               when='@develop')
+               when='@develop +trilinos')
+    depends_on('trilinos@12.18.1+hypre+superlu-dist+metis+hdf5~mumps+boost~suite-sparse+tpetra+nox+ifpack2+zoltan2+amesos2~exodus+dtk+intrepid2+shards',
+               when='@0.5.0 +trilinos')
     depends_on('trilinos@12.14.1+hypre+superlu-dist+metis+hdf5~mumps+boost~suite-sparse+tpetra+nox+ifpack2+zoltan2+amesos2~exodus+dtk+intrepid2+shards',
-               when='@0.4.0')
+               when='@0.4.0 +trilinos')
     depends_on('trilinos@12.12.1+hypre+superlu-dist+metis+hdf5~mumps+boost~suite-sparse~tpetra~ifpack2~zoltan2~amesos2~exodus',
-               when='@0.3.0')
+               when='@0.3.0 +trilinos')
     depends_on('trilinos@xsdk-0.2.0+hypre+superlu-dist+metis+hdf5~mumps+boost~suite-sparse~tpetra~ifpack2~zoltan2~amesos2~exodus',
-               when='@xsdk-0.2.0')
+               when='@xsdk-0.2.0 +trilinos')
 
-    depends_on('petsc@develop+trilinos+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
+    depends_on('petsc +trilinos', when='+trilinos')
+    depends_on('petsc ~trilinos', when='~trilinos')
+    depends_on('petsc +batch', when='platform=cray @0.5.0:')
+    depends_on('petsc@develop+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
                when='@develop')
-    depends_on('petsc@3.10.3+trilinos+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
+    depends_on('petsc@3.12.1+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
+               when='@0.5.0')
+    depends_on('petsc@3.10.3+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
                when='@0.4.0')
-    depends_on('petsc@3.8.2+trilinos+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
+    depends_on('petsc@3.8.2+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
                when='@0.3.0')
-    depends_on('petsc@xsdk-0.2.0+trilinos+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
+    depends_on('petsc@xsdk-0.2.0+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64',
                when='@xsdk-0.2.0')
 
-    depends_on('dealii@develop~assimp~python~doc~gmsh+petsc+slepc+mpi+trilinos~int64+hdf5~netcdf+metis~sundials~ginkgo~symengine', when='@develop +dealii')
-    depends_on('dealii@9.0.1~assimp~python~doc~gmsh+petsc~slepc+mpi+trilinos~int64+hdf5~netcdf+metis~ginkgo~symengine', when='@0.4.0 +dealii')
+    depends_on('dealii +trilinos', when='+trilinos +dealii')
+    depends_on('dealii ~trilinos', when='~trilinos +dealii')
+    depends_on('dealii@develop~assimp~python~doc~gmsh+petsc+slepc+mpi~int64+hdf5~netcdf+metis~sundials~ginkgo~symengine', when='@develop +dealii')
+    depends_on('dealii@9.1.1~assimp~python~doc~gmsh+petsc+slepc+mpi~int64+hdf5~netcdf+metis~sundials~ginkgo~symengine', when='@0.5.0 +dealii')
+    depends_on('dealii@9.0.1~assimp~python~doc~gmsh+petsc~slepc+mpi~int64+hdf5~netcdf+metis~ginkgo~symengine', when='@0.4.0 +dealii')
 
     depends_on('pflotran@develop', when='@develop')
+    depends_on('pflotran@xsdk-0.5.0', when='@0.5.0')
     depends_on('pflotran@xsdk-0.4.0', when='@0.4.0')
     depends_on('pflotran@xsdk-0.3.0', when='@0.3.0')
     depends_on('pflotran@xsdk-0.2.0', when='@xsdk-0.2.0')
 
     depends_on('alquimia@develop', when='@develop')
+    depends_on('alquimia@xsdk-0.5.0', when='@0.5.0')
     depends_on('alquimia@xsdk-0.4.0', when='@0.4.0')
     depends_on('alquimia@xsdk-0.3.0', when='@0.3.0')
     depends_on('alquimia@xsdk-0.2.0', when='@xsdk-0.2.0')
 
-    depends_on('sundials@4.1.0~int64+hypre', when='@develop')
+    depends_on('sundials+superlu-dist', when='@0.5.0: %gcc@6.1:')
+    depends_on('sundials@develop~int64+hypre+petsc', when='@develop')
+    depends_on('sundials@5.0.0~int64+hypre+petsc', when='@0.5.0')
     depends_on('sundials@3.2.1~int64+hypre', when='@0.4.0')
     depends_on('sundials@3.1.0~int64+hypre', when='@0.3.0')
 
-    depends_on('plasma@18.11.1:', when='@develop %gcc@6.0:')
+    depends_on('plasma@19.8.1:', when='@develop %gcc@6.0:')
+    depends_on('plasma@19.8.1:', when='@0.5.0 %gcc@6.0:')
     depends_on('plasma@18.11.1:', when='@0.4.0 %gcc@6.0:')
 
-    depends_on('magma@2.4.0', when='@develop +cuda')
+    depends_on('magma@2.5.1', when='@develop +cuda')
+    depends_on('magma@2.5.1', when='@0.5.0 +cuda')
     depends_on('magma@2.4.0', when='@0.4.0 +cuda')
     depends_on('magma@2.2.0', when='@0.3.0 +cuda')
 
-    depends_on('amrex@develop+sundials', when='@develop %intel')
-    depends_on('amrex@develop+sundials', when='@develop %gcc')
+    depends_on('amrex@develop', when='@develop %intel')
+    depends_on('amrex@develop', when='@develop %gcc')
+    depends_on('amrex@19.08', when='@0.5.0 %intel')
+    depends_on('amrex@19.08', when='@0.5.0 %gcc')
     depends_on('amrex@18.10.1', when='@0.4.0 %intel')
     depends_on('amrex@18.10.1', when='@0.4.0 %gcc')
 
     depends_on('slepc@develop', when='@develop')
+    depends_on('slepc@3.12.0', when='@0.5.0')
     depends_on('slepc@3.10.1', when='@0.4.0')
 
+    depends_on('omega-h +trilinos', when='+trilinos +omega-h')
+    depends_on('omega-h ~trilinos', when='~trilinos +omega-h')
     depends_on('omega-h@develop', when='@develop +omega-h')
+    depends_on('omega-h@9.29.0', when='@0.5.0 +omega-h')
     depends_on('omega-h@9.19.1', when='@0.4.0 +omega-h')
 
-    depends_on('strumpack@master', when='@develop')
-    depends_on('strumpack@3.1.1', when='@0.4.0')
+    depends_on('strumpack@master', when='@develop +strumpack')
+    depends_on('strumpack@3.3.0', when='@0.5.0 +strumpack')
+    depends_on('strumpack@3.1.1', when='@0.4.0 +strumpack')
 
     depends_on('pumi@develop', when='@develop')
+    depends_on('pumi@2.2.1', when='@0.5.0')
     depends_on('pumi@2.2.0', when='@0.4.0')
 
-    depends_on('tasmanian@develop+xsdkflags+blas~openmp', when='@develop')
-    depends_on('tasmanian@develop+xsdkflags+blas+cuda+magma~openmp', when='@develop +cuda')
+    tasmanian_openmp = '~openmp' if sys.platform == 'darwin' else '+openmp'
+    depends_on('tasmanian@develop+xsdkflags+blas' + tasmanian_openmp, when='@develop')
+    depends_on('tasmanian@develop+xsdkflags+blas+cuda+magma' + tasmanian_openmp, when='@develop +cuda')
+    depends_on('tasmanian@7.0+xsdkflags+mpi+blas' + tasmanian_openmp, when='@0.5.0')
+    depends_on('tasmanian@7.0+xsdkflags+mpi+blas+cuda+magma' + tasmanian_openmp, when='@0.5.0 +cuda')
     depends_on('tasmanian@6.0+xsdkflags+blas~openmp', when='@0.4.0')
     depends_on('tasmanian@6.0+xsdkflags+blas+cuda+magma~openmp', when='@0.4.0 +cuda')
 
@@ -111,8 +150,27 @@ class Xsdk(BundlePackage):
     # these are type='build' dependencies, but spack reports a conflict anyway.
     # This will be fixed once the new concretizer becomes available
     # (says @adamjstewart)
-    depends_on('phist@develop kernel_lib=tpetra ~fortran ~scamac ~openmp ~host', when='@develop +phist')
-    depends_on('phist@1.7.5 kernel_lib=tpetra ~fortran ~scamac ~openmp ~host', when='@0.4.0 +phist')
+
+    depends_on('phist kernel_lib=tpetra', when='+trilinos +phist')
+    depends_on('phist kernel_lib=petsc', when='~trilinos +phist')
+    depends_on('phist@develop ~fortran ~scamac ~openmp ~host', when='@develop +phist')
+    depends_on('phist@1.8.0 ~fortran ~scamac ~openmp ~host', when='@0.5.0 +phist')
+    depends_on('phist@1.7.5 ~fortran ~scamac ~openmp ~host', when='@0.4.0 +phist')
+
+    depends_on('ginkgo@develop ~openmp', when='@develop +ginkgo')
+    depends_on('ginkgo@develop ~openmp+cuda', when='@develop +ginkgo +cuda')
+    depends_on('ginkgo@1.1.0 ~openmp', when='@0.5.0 +ginkgo')
+    depends_on('ginkgo@1.1.0 ~openmp+cuda', when='@0.5.0 +cuda +ginkgo')
+
+    depends_on('py-libensemble@develop+petsc4py', type='run', when='@develop +libensemble')
+    depends_on('py-libensemble@0.5.2+petsc4py', type='run', when='@0.5.0 +libensemble')
+
+    depends_on('precice ~petsc', when='platform=cray +precice')
+    depends_on('precice@develop', when='@develop +precice')
+    depends_on('precice@1.6.1', when='@0.5.0 +precice')
+
+    depends_on('butterflypack@master', when='@develop +butterflypack')
+    depends_on('butterflypack@1.1.0', when='@0.5.0 +butterflypack')
 
     # xSDKTrilinos depends on the version of Trilinos built with
     # +tpetra which is turned off for faster xSDK