fix build of 64bit PETSc and Trilinos in the same deal.II DAG (#3223)

Declare that (i) Trilinos can be only built against 32bit Hypre
(ii) SLEPc can not be built with Arpack when 64bit indices are used
(iii) reflect those constraints in deal.II's depends_on
While there, add extra release flags for best performance.

3 files changed, 43 insertions, 9 deletions

diff --git a/var/spack/repos/builtin/packages/dealii/package.py b/var/spack/repos/builtin/packages/dealii/package.py
index 1fab8913d4..22fb168e65 100644
--- a/var/spack/repos/builtin/packages/dealii/package.py
+++ b/var/spack/repos/builtin/packages/dealii/package.py
@@ -68,6 +68,8 @@ class Dealii(CMakePackage):
             description='Compile with Python bindings')
     variant('int64',    default=False,
             description='Compile with 64 bit indices support')
+    variant('optflags', default=False,
+            description='Compile using additional optimization flags')
 
     # required dependencies, light version
     depends_on("blas")
@@ -75,6 +77,11 @@ class Dealii(CMakePackage):
     # https://github.com/dealii/dealii/issues/1591
     # Require at least 1.59
     # +python won't affect @:8.4.2
+    # FIXME: once concretizer can unite unconditional and
+    # conditional dependencies, simplify to:
+    # depends_on("boost@1.59.0+thread+system+serialization+iostreams")
+    # depends_on("boost+mpi", when='+mpi')
+    # depends_on("boost+python", when='+python')
     depends_on("boost@1.59.0:+thread+system+serialization+iostreams",
                when='@:8.4.2~mpi')
     depends_on("boost@1.59.0:+thread+system+serialization+iostreams+mpi",
@@ -103,17 +110,23 @@ class Dealii(CMakePackage):
     depends_on("graphviz",         when='+doc')
     depends_on("gsl",              when='@8.5.0:+gsl')
     depends_on("hdf5+mpi",         when='+hdf5+mpi')
-    depends_on("metis@5:",         when='+metis')
+    # FIXME: concretizer bug. The two lines mimic what comes from PETSc
+    # but we should not need it
+    depends_on("metis@5:+int64",   when='+metis+int64')
+    depends_on("metis@5:~int64",   when='+metis~int64')
     depends_on("netcdf+mpi",       when="+netcdf+mpi")
     depends_on("netcdf-cxx",       when='+netcdf+mpi')
     depends_on("oce",              when='+oce')
     depends_on("p4est",            when='+p4est+mpi')
-    depends_on("petsc+mpi",        when='@8.4.2:+petsc+mpi~int64')
+    depends_on("petsc+mpi~int64",  when='+petsc+mpi~int64')
+    depends_on("petsc+mpi+int64",  when='+petsc+mpi+int64')
+    depends_on("petsc@:3.6.4",     when='@:8.4.1+petsc+mpi')
     depends_on('python',           when='@8.5.0:+python')
-    depends_on("slepc",            when='@8.4.2:+slepc+petsc+mpi~int64')
-    depends_on("petsc@:3.6.4+mpi", when='@:8.4.1+petsc+mpi~int64')
-    depends_on("slepc@:3.6.3",     when='@:8.4.1+slepc+petsc+mpi~int64')
-    depends_on("trilinos",         when='+trilinos+mpi')
+    depends_on("slepc",            when='+slepc+petsc+mpi')
+    depends_on("slepc@:3.6.3",     when='@:8.4.1+slepc+petsc+mpi')
+    depends_on("slepc~arpack",     when='+slepc+petsc+mpi+int64')
+    depends_on("trilinos",         when='+trilinos+mpi~int64')
+    depends_on("trilinos~hypre",   when="+trilinos+mpi+int64")
 
     # check that the combination of variants makes sense
     def variants_check(self):
@@ -130,6 +143,7 @@ class Dealii(CMakePackage):
         self.variants_check()
         spec = self.spec
         options = []
+        cxx_flags = []
 
         lapack_blas = spec['lapack'].lapack_libs + spec['blas'].blas_libs
         options.extend([
@@ -150,6 +164,16 @@ class Dealii(CMakePackage):
             '-DZLIB_DIR=%s' % spec['zlib'].prefix
         ])
 
+        # Set recommended flags for maximum (matrix-free) performance, see
+        # https://groups.google.com/forum/?fromgroups#!topic/dealii/3Yjy8CBIrgU
+        if spec.satisfies('%gcc'):
+            cxx_flags.extend(['-O3', '-march=native'])
+        elif spec.satisfies('%intel'):
+            cxx_flags.extend(['-O3', '-march=native'])
+        elif spec.satisfies('%clang'):
+            cxx_flags.extend(['-O3', '-march=native', '-ffp-contract=fast'])
+
+        # Python bindings
         if spec.satisfies('@8.5.0:'):
             options.extend([
                 '-DDEAL_II_COMPONENT_PYTHON_BINDINGS=%s' %
@@ -255,6 +279,12 @@ class Dealii(CMakePackage):
             '-DDEAL_II_WITH_64BIT_INDICES=%s' % ('+int64' in spec)
         ])
 
+        # collect CXX flags:
+        if len(cxx_flags) > 0 and '+optflags' in spec:
+            options.extend([
+                '-DCMAKE_CXX_FLAGS_RELEASE:STRING=%s' % (' '.join(cxx_flags))
+            ])
+
         return options
 
     def setup_environment(self, spack_env, env):
diff --git a/var/spack/repos/builtin/packages/slepc/package.py b/var/spack/repos/builtin/packages/slepc/package.py
index 17c512119c..9400023327 100644
--- a/var/spack/repos/builtin/packages/slepc/package.py
+++ b/var/spack/repos/builtin/packages/slepc/package.py
@@ -45,12 +45,15 @@ class Slepc(Package):
     depends_on('python@2.6:2.7', type='build')
     depends_on('petsc@3.7:', when='@3.7.1:')
     depends_on('petsc@3.6.3:3.6.4', when='@3.6.2:3.6.3')
-    depends_on('arpack-ng~mpi', when='+arpack^petsc~mpi')
-    depends_on('arpack-ng+mpi', when='+arpack^petsc+mpi')
+    depends_on('arpack-ng~mpi', when='+arpack^petsc~mpi~int64')
+    depends_on('arpack-ng+mpi', when='+arpack^petsc+mpi~int64')
 
     patch('install_name_371.patch', when='@3.7.1')
 
     def install(self, spec, prefix):
+        if spec.satisfies('+arpack^petsc+int64'):
+            raise RuntimeError('Arpack can not be used with 64bit integers.')
+
         # set SLEPC_DIR for installation
         # Note that one should set the current (temporary) directory instead
         # its symlink in spack/stage/ !
diff --git a/var/spack/repos/builtin/packages/trilinos/package.py b/var/spack/repos/builtin/packages/trilinos/package.py
index d3c8c3a0d0..a4d97a6bc7 100644
--- a/var/spack/repos/builtin/packages/trilinos/package.py
+++ b/var/spack/repos/builtin/packages/trilinos/package.py
@@ -116,7 +116,8 @@ class Trilinos(CMakePackage):
     depends_on('superlu-dist@:4.3', when='@:12.6.1+superlu-dist')
     depends_on('superlu-dist', when='@12.6.2:+superlu-dist')
     depends_on('superlu+fpic@4.3', when='+superlu')
-    depends_on('hypre~internal-superlu', when='+hypre')
+    # Trilinos can not be built against 64bit int hypre
+    depends_on('hypre~internal-superlu~int64', when='+hypre')
     depends_on('hdf5+mpi', when='+hdf5')
     depends_on('python', when='+python')
     depends_on('py-numpy', when='+python')