grackle : added package (#1725)

Modifications :

* grackle : added package
* grackle : added version 2.2

var/spack/repos/builtin/packages/grackle/Make.mach.template

@@ -0,0 +1,71 @@
+MACH_TEXT  = Generic Linux
+MACH_VALID = 1
+MACH_FILE  = Make.mach.@ARCHITECTURE
+
+#-----------------------------------------------------------------------
+# Install paths (local variables)
+#-----------------------------------------------------------------------
+
+LOCAL_HDF5_INSTALL = @HDF5_ROOT
+
+#-----------------------------------------------------------------------
+# Compiler settings
+#-----------------------------------------------------------------------
+
+MACH_CC_NOMPI  = @CC # C compiler
+MACH_CXX_NOMPI = @CXX # C++ compiler
+MACH_FC_NOMPI  = @F77 # Fortran 77
+MACH_F90_NOMPI = @FC # Fortran 90
+MACH_LD_NOMPI  = @FC # Linker
+@LINK_VARIABLES_DEFINITION
+
+#-----------------------------------------------------------------------
+# Machine-dependent defines
+#-----------------------------------------------------------------------
+
+MACH_DEFINES   = -DLINUX -DH5_USE_16_API -fPIC
+
+#-----------------------------------------------------------------------
+# Compiler flag settings
+#-----------------------------------------------------------------------
+
+MACH_CPPFLAGS = -P -traditional
+MACH_CFLAGS   = 
+MACH_CXXFLAGS = 
+MACH_FFLAGS   = -fno-second-underscore -ffixed-line-length-132
+MACH_F90FLAGS = -fno-second-underscore
+MACH_LDFLAGS  = @STDCXX_LIB
+
+#-----------------------------------------------------------------------
+# Optimization flags
+#-----------------------------------------------------------------------
+
+MACH_OPT_WARN        = -Wall -g
+MACH_OPT_DEBUG       = -g
+MACH_OPT_HIGH        = -O2
+MACH_OPT_AGGRESSIVE  = -O3 -g
+
+#-----------------------------------------------------------------------
+# Includes
+#-----------------------------------------------------------------------
+
+LOCAL_INCLUDES_HDF5   = -I@HDF5_ROOT/include # HDF5 includes
+
+MACH_INCLUDES         = $(LOCAL_INCLUDES_HDF5)
+
+#-----------------------------------------------------------------------
+# Libraries
+#-----------------------------------------------------------------------
+
+LOCAL_LIBS_HDF5   = -L@HDF5_ROOT/lib -lhdf5 # HDF5 libraries
+LOCAL_LIBS_MACH   =  # Machine-dependent libraries
+
+MACH_LIBS         = $(LOCAL_LIBS_HDF5) $(LOCAL_LIBS_MACH)
+
+#-----------------------------------------------------------------------
+# Installation
+#-----------------------------------------------------------------------
+
+MACH_INSTALL_PREFIX = @PREFIX
+MACH_INSTALL_LIB_DIR =
+MACH_INSTALL_INCLUDE_DIR =

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

@@ -0,0 +1,89 @@
+##############################################################################
+# Copyright (c) 2013-2016, 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/llnl/spack
+# Please also see the LICENSE file 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
+##############################################################################
+import os.path
+import shutil
+import inspect
+
+from spack import *
+
+
+class Grackle(Package):
+    """Grackle is a chemistry and radiative cooling library for astrophysical
+    simulations with interfaces for C, C++, and Fortran codes. It is a
+    generalized and trimmed down version of the chemistry network of the Enzo
+    simulation code
+    """
+    homepage = 'http://grackle.readthedocs.io/en/grackle-2.2/'
+    url = 'https://bitbucket.org/grackle/grackle/get/grackle-2.0.1.tar.bz2'
+
+    version('2.2', 'ec49ed1db5a42db21f478285150c2ba3')
+    version('2.0.1', 'a9624ad13a60c592c1a0a4ea8e1ae86d')
+
+    depends_on('libtool', when='@2.2')
+
+    depends_on('mpi')
+    depends_on('hdf5+mpi')
+
+    parallel = False
+
+    def install(self, spec, prefix):
+        template_name = '{0.architecture}-{0.compiler.name}'
+        grackle_architecture = template_name.format(spec)
+        link_variables = 'MACH_AR = ar' if spec.version < Version(2.2) else 'MACH_LIBTOOL = libtool'  # NOQA: ignore=E501
+        substitutions = {
+            '@ARCHITECTURE': grackle_architecture,
+            '@CC': spec['mpi'].mpicc,
+            '@CXX': spec['mpi'].mpicxx,
+            '@FC': spec['mpi'].mpifc,
+            '@F77': spec['mpi'].mpif77,
+            '@STDCXX_LIB': ' '.join(self.compiler.stdcxx_libs),
+            '@HDF5_ROOT': spec['hdf5'].prefix,
+            '@PREFIX': prefix,
+            '@LINK_VARIABLES_DEFINITION': link_variables
+        }
+
+        template = join_path(
+            os.path.dirname(inspect.getmodule(self).__file__),
+            'Make.mach.template'
+        )
+        makefile = join_path(
+            self.stage.source_path,
+            'src',
+            'clib',
+            'Make.mach.{0}'.format(grackle_architecture)
+        )
+        shutil.copy(template, makefile)
+        for key, value in substitutions.items():
+            filter_file(key, value, makefile)
+
+        configure()
+        with working_dir('src/clib'):
+            make('clean')
+            make('machine-{0}'.format(grackle_architecture))
+            make('opt-high')
+            make('show-config')
+            make()
+            mkdirp(prefix.lib)
+            make('install')