mptensor: Add new package (#20542)

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

@@ -0,0 +1,55 @@
+# Copyright 2013-2020 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)
+
+from spack import *
+
+
+class Mptensor(CMakePackage):
+    """mptensor is parallel C++ libarary for tensor calculations.
+       It provides similar interfaces as Numpy and Scipy in Python."""
+
+    homepage = "https://github.com/smorita/mptensor"
+    url      = "https://github.com/smorita/mptensor/archive/v0.3.0.tar.gz"
+
+    version('0.3.0', sha256='819395a91551bddb77958615042fcb935a4b67ee37f912b9a2ca5b49c71befae')
+
+    variant('mpi', default=False, description='Build with MPI library')
+    variant("doc", default=False, description="build documentation with Doxygen")
+
+    depends_on('cmake@3.6:', type='build')
+    depends_on('mpi', when="+mpi")
+    depends_on('blas')
+    depends_on('lapack')
+    depends_on('scalapack', when="+mpi")
+    depends_on('doxygen@:1.8.11', type="build", when="+doc")
+
+    def cmake_args(self):
+        spec = self.spec
+        options = []
+
+        if "+mpi" in spec:
+            options.extend([
+                '-DCMAKE_C_COMPILER=%s'       % spec['mpi'].mpicc,
+                '-DCMAKE_CXX_COMPILER=%s'     % spec['mpi'].mpicxx,
+                '-DCMAKE_Fortran_COMPILER=%s' % spec['mpi'].mpifc,
+                '-DSCALAPACK_LIBRARIES=%s'    % spec['scalapack'].libs,
+            ])
+        else:
+            options.extend([
+                '-DCMAKE_C_COMPILER=%s'       % spack_cc,
+                '-DCMAKE_CXX_COMPILER=%s'     % spack_cxx,
+                '-DCMAKE_Fortran_COMPILER=%s' % spack_fc,
+            ])
+
+        blas = spec['blas'].libs
+        lapack = spec['lapack'].libs
+        options.extend([
+            '-DLAPACK_LIBRARIES=%s' % ';'.join(lapack),
+            '-DBLAS_LIBRARIES=%s'   % ';'.join(blas),
+            self.define_from_variant('ENABLE_MPI', 'mpi'),
+            self.define_from_variant('BUILD_DOC', 'doc')
+        ])
+
+        return options