steps: new package starting at 3.3 (#9173)

2018-09-11 21:43:15 +09:00 · 2018-09-11 21:43:15 +09:00 · 6d0933b2a0
commit 6d0933b2a0
parent ccbff6e0cd
1 changed files with 80 additions and 0 deletions
--- a/var/spack/repos/builtin/packages/steps/package.py
+++ b/var/spack/repos/builtin/packages/steps/package.py
@ -0,0 +1,80 @@
+##############################################################################
+# Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC.
+# Produced at the Lawrence Livermore National Laboratory.
+#
+# This file is part of Spack.
+# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
+# LLNL-CODE-647188
+#
+# For details, see https://github.com/spack/spack
+# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
+#
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License (as
+# published by the Free Software Foundation) version 2.1, February 1999.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
+# conditions of the GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+##############################################################################
+from spack import *
+
+
+class Steps(CMakePackage):
+    """STochastic Engine for Pathway Simulation"""
+
+    homepage = "https://groups.oist.jp/cnu/software"
+    git      = "https://github.com/CNS-OIST/STEPS.git"
+
+    version("3.3.0", submodules=True)
+    version("3.2.0", submodules=True)
+    version("develop", branch="master", submodules=True)
+
+    variant("native", default=True, description="Generate non-portable arch-specific code")
+    variant("lapack", default=False, description="Use new BDSystem/Lapack code for E-Field solver")
+    variant("petsc", default=False, description="Use PETSc library for parallel E-Field solver")
+    variant("mpi", default=True, description="Use MPI for parallel solvers")
+
+    depends_on("blas")
+    depends_on("lapack", when="+lapack")
+    depends_on("mpi", when="+mpi")
+    depends_on("petsc~debug+int64", when="+petsc")
+    depends_on("python")
+    depends_on("py-cython")
+
+    def cmake_args(self):
+        args = []
+        spec = self.spec
+
+        if "+native" in spec:
+            args.append("-DTARGET_NATIVE_ARCH:BOOL=True")
+        else:
+            args.append("-DTARGET_NATIVE_ARCH:BOOL=False")
+
+        if "+lapack" in spec:
+            args.append("-DUSE_BDSYSTEM_LAPACK:BOOL=True")
+        else:
+            args.append("-DUSE_BDSYSTEM_LAPACK:BOOL=False")
+
+        if "+petsc" in spec:
+            args.append("-DUSE_PETSC:BOOL=True")
+        else:
+            args.append("-DUSE_PETSC:BOOL=False")
+
+        if "+mpi" in spec:
+            args.append("-DUSE_MPI:BOOL=True")
+        else:
+            args.append("-DUSE_MPI:BOOL=False")
+
+        args.append('-DBLAS_LIBRARIES=' + spec['blas'].libs.joined(";"))
+        return args
+
+    def setup_environment(self, spack_env, run_env):
+        # This recipe exposes a Python package from a C++ CMake project.
+        # This hook is required to reproduce what Spack PythonPackage does.
+        run_env.prepend_path('PYTHONPATH', self.prefix)