Merge remote-tracking branch 'scitas/packages/mumps' into packages/elpa

3 files changed, 227 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/mumps/Makefile.inc b/var/spack/repos/builtin/packages/mumps/Makefile.inc
new file mode 100644
index 0000000000..2e6a041878
--- /dev/null
+++ b/var/spack/repos/builtin/packages/mumps/Makefile.inc
@@ -0,0 +1,38 @@
+LPORDDIR = $(topdir)/PORD/lib/
+IPORD = -I$(topdir)/PORD/include/
+LPORD = -L$(LPORDDIR) -lpord
+
+ORDERINGSC = $(ORDERINGSF)
+LORDERINGS = $(LMETIS) $(LPORD) $(LSCOTCH)
+IORDERINGSF = $(ISCOTCH)
+IORDERINGSC = $(IMETIS) $(IPORD) $(ISCOTCH)
+
+PLAT    =
+LIBEXT  = .a
+OUTC    = -o 
+OUTF    = -o
+RM = /bin/rm -f
+AR = ar vr 
+RANLIB = ranlib
+
+INCSEQ  = -I$(topdir)/libseq
+LIBSEQ  = -L$(topdir)/libseq -lmpiseq
+
+INCPAR  =
+LIBPAR  = $(SCALAP)
+
+LIBOTHERS = -lpthread
+
+#Sequential:
+ifeq ($(MUMPS_TYPE),seq)
+INCS = $(INCSEQ)
+LIBS = $(LIBSEQ)
+LIBSEQNEEDED = libseqneeded
+endif
+
+#Parallel:
+ifeq ($(MUMPS_TYPE),par)
+INCS = $(INCPAR)
+LIBS = $(LIBPAR)
+LIBSEQNEEDED =
+endif
diff --git a/var/spack/repos/builtin/packages/mumps/package.py b/var/spack/repos/builtin/packages/mumps/package.py
new file mode 100644
index 0000000000..44a37903cc
--- /dev/null
+++ b/var/spack/repos/builtin/packages/mumps/package.py
@@ -0,0 +1,139 @@
+from spack import *
+import os
+
+
+class Mumps(Package):
+    """MUMPS: a MUltifrontal Massively Parallel sparse direct Solver"""
+
+    homepage = "http://mumps.enseeiht.fr"
+    url      = "http://mumps.enseeiht.fr/MUMPS_5.0.1.tar.gz"
+
+    version('5.0.1', 'b477573fdcc87babe861f62316833db0')
+
+    variant('mpi', default=True, description='Activate the compilation of MUMPS with the MPI support')
+    variant('scotch', default=False, description='Activate Scotch as a possible ordering library')
+    variant('ptscotch', default=False, description='Activate PT-Scotch as a possible ordering library')
+    variant('metis', default=False, description='Activate Metis as a possible ordering library')
+    variant('parmetis', default=False, description='Activate Parmetis as a possible ordering library')
+    variant('double', default=True, description='Activate the compilation of dmumps')
+    variant('float', default=True, description='Activate the compilation of smumps')
+    variant('complex', default=True, description='Activate the compilation of cmumps and/or zmumps')
+    variant('idx64', default=False, description='Use int64_t/integer*8 as default index type')
+
+    
+    depends_on('scotch + esmumps', when='~ptscotch+scotch')
+    depends_on('scotch + esmumps + mpi', when='+ptscotch')
+    depends_on('metis', when='~parmetis+metis')
+    depends_on('parmetis', when="+parmetis")
+    depends_on('blas')
+    depends_on('lapack')
+    depends_on('scalapack', when='+mpi')
+    depends_on('mpi', when='+mpi')
+
+    # this function is not a patch function because in case scalapack
+    # is needed it uses self.spec['scalapack'].fc_link set by the
+    # setup_dependent_environment in scalapck. This happen after patch
+    # end before install
+    # def patch(self):
+    def write_makefile_inc(self):
+        if ('+parmetis' in self.spec or '+ptscotch' in self.spec) and '+mpi' not in self.spec:
+            raise RuntimeError('You cannot use the variants parmetis or ptscotch without mpi')
+        
+        makefile_conf = ["LIBBLAS = -L%s -lblas" % self.spec['blas'].prefix.lib]
+
+        orderings = ['-Dpord']
+        
+        if '+ptscotch' in self.spec or '+scotch' in self.spec:
+            join_lib = ' -l%s' % ('pt' if '+ptscotch' in self.spec else '')
+            makefile_conf.extend(
+                ["ISCOTCH = -I%s" % self.spec['scotch'].prefix.include,
+                 "LSCOTCH = -L%s %s%s" % (self.spec['scotch'].prefix.lib,
+                                          join_lib,
+                                          join_lib.join(['esmumps', 'scotch', 'scotcherr']))])
+            orderings.append('-Dscotch')
+            if '+ptscotch' in self.spec:
+                orderings.append('-Dptscotch')
+
+        if '+parmetis' in self.spec or '+metis' in self.spec:
+            libname = 'parmetis' if '+parmetis' in self.spec else 'metis'
+            makefile_conf.extend(
+                ["IMETIS = -I%s" % self.spec[libname].prefix.include,
+                 "LMETIS = -L%s -l%s" % (self.spec[libname].prefix.lib, libname)])
+
+            orderings.append('-Dmetis')
+            if '+parmetis' in self.spec:
+                orderings.append('-Dparmetis')
+
+        makefile_conf.append("ORDERINGSF = %s" % (' '.join(orderings)))
+
+        # TODO: test this part, it needs a full blas, scalapack and
+        # partitionning environment with 64bit integers
+        if '+idx64' in self.spec:
+            makefile_conf.extend(
+                # the fortran compilation flags most probably are
+                # working only for intel and gnu compilers this is
+                # perhaps something the compiler should provide
+                ['OPTF    = -O  -DALLOW_NON_INIT %s' % '-fdefault-integer-8' if self.compiler.name == "gcc" else '-i8',
+                 'OPTL    = -O ',
+                 'OPTC    = -O -DINTSIZE64'])
+        else:
+            makefile_conf.extend(
+                ['OPTF    = -O  -DALLOW_NON_INIT',
+                 'OPTL    = -O ',
+                 'OPTC    = -O '])
+
+
+        if '+mpi' in self.spec:
+            makefile_conf.extend(
+                ["CC = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpicc'),
+                 "FC = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpif90'),
+                 "FL = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpif90'),
+                 "SCALAP = %s" % self.spec['scalapack'].fc_link,
+                 "MUMPS_TYPE = par"])
+        else:
+            makefile_conf.extend(
+                ["CC = cc",
+                 "FC = fc",
+                 "FL = fc",
+                 "MUMPS_TYPE = seq"])
+
+        # TODO: change the value to the correct one according to the
+        # compiler possible values are -DAdd_, -DAdd__ and/or -DUPPER
+        makefile_conf.append("CDEFS   = -DAdd_")
+
+        
+        makefile_inc_template = join_path(os.path.dirname(self.module.__file__),
+                                          'Makefile.inc')
+        with open(makefile_inc_template, "r") as fh:
+            makefile_conf.extend(fh.read().split('\n'))
+        
+        with working_dir('.'):
+            with open("Makefile.inc", "w") as fh:
+                makefile_inc = '\n'.join(makefile_conf)
+                fh.write(makefile_inc)
+
+
+
+    def install(self, spec, prefix):
+        make_libs = []
+
+        # the coice to compile ?examples is to have kind of a sanity
+        # check on the libraries generated.
+        if '+float' in spec:
+            make_libs.append('sexamples')
+            if '+complex' in spec:
+                make_libs.append('cexamples')
+
+        if '+double' in spec:
+            make_libs.append('dexamples')
+            if '+complex' in spec:
+                make_libs.append('zexamples')
+
+        self.write_makefile_inc()
+                
+        make(*make_libs)
+
+        install_tree('lib', prefix.lib)
+        install_tree('include', prefix.include)
+        if '~mpi' in spec:
+            install('libseq/libmpiseq.a', prefix.lib)
diff --git a/var/spack/repos/builtin/packages/netlib-scalapack/package.py b/var/spack/repos/builtin/packages/netlib-scalapack/package.py
new file mode 100644
index 0000000000..5be91c4a40
--- /dev/null
+++ b/var/spack/repos/builtin/packages/netlib-scalapack/package.py
@@ -0,0 +1,50 @@
+from spack import *
+
+class NetlibScalapack(Package):
+    """ScaLAPACK is a library of high-performance linear algebra routines for parallel distributed memory machines"""
+    
+    homepage = "http://www.netlib.org/scalapack/"
+    url      = "http://www.netlib.org/scalapack/scalapack-2.0.2.tgz"
+
+    version('2.0.2', '2f75e600a2ba155ed9ce974a1c4b536f')
+    version('2.0.1', '17b8cde589ea0423afe1ec43e7499161')
+    version('2.0.0', '9e76ae7b291be27faaad47cfc256cbfe')
+    # versions before 2.0.0 are not using cmake and requires blacs as
+    # a separated package
+    
+    variant('shared', default=True, description='Build the shared library version')
+    variant('fpic', default=False, description="Build with -fpic compiler option")
+    
+    provides('scalapack')
+    
+    depends_on('mpi')
+    depends_on('lapack')
+    
+    def install(self, spec, prefix):       
+        options = [
+            "-DBUILD_SHARED_LIBS:BOOL=%s" % 'ON' if '+shared' in spec else 'OFF',
+            "-DBUILD_STATIC_LIBS:BOOL=%s" % 'OFF' if '+shared' in spec else 'ON',
+            "-DUSE_OPTIMIZED_LAPACK_BLAS:BOOL=ON", # forces scalapack to use find_package(LAPACK)
+            ]
+
+        if '+fpic' in spec:
+            options.extend([
+                "-DCMAKE_C_FLAGS=-fPIC",
+                "-DCMAKE_Fortran_FLAGS=-fPIC"
+            ])
+           
+        options.extend(std_cmake_args)
+        
+        with working_dir('spack-build', create=True):
+            cmake('..', *options)
+            make()
+            make("install")
+
+    def setup_dependent_environment(self, module, spec, dependent_spec):
+        # TODO treat OS that are not Linux...
+        lib_suffix = '.so' if '+shared' in spec['scalapack'] else '.a'
+
+        spec['scalapack'].fc_link = '-L%s -lscalapack' % spec['scalapack'].prefix.lib
+        spec['scalapack'].cc_link = spec['scalapack'].fc_link
+        spec['scalapack'].libraries = [join_path(spec['scalapack'].prefix.lib,
+                                                 'libscalapack%s' % lib_suffix)]