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Commit b99e945e authored by Andrew Williams's avatar Andrew Williams
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Added variants and dependencies to plumed but I'm getting an error when trying...

Added variants and dependencies to plumed but I'm getting an error when trying to resolve mpi to a valid virtual package
parent 27793d97
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packages: packages:
intelmpi: intelmpi:
paths: paths:
intelmpi@4.1.0%gcc@4.4.7 arch=linux-x86_64: /software/compilers/intel/13.0/impi/4.1.0.024 intelmpi@4.1.0%gcc@4.4.7 arch=linux-x86_64: /software/compilers/intel/13.0/impi/4.1.0.024/intel64
buildable: False buildable: False
all:
providers:
mpi: [intelmpi, openmpi]
##############################################################################
# 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
##############################################################################
from spack import * from spack import *
class Intelmpi(Package): class Intelmpi(Package):
...@@ -17,6 +41,13 @@ def setup_dependent_environment(self, spack_env, run_env, dependent_spec): ...@@ -17,6 +41,13 @@ def setup_dependent_environment(self, spack_env, run_env, dependent_spec):
spack_env.set('MPIF77', join_path(self.prefix.bin, 'mpif77')) spack_env.set('MPIF77', join_path(self.prefix.bin, 'mpif77'))
spack_env.set('MPIF90', join_path(self.prefix.bin, 'mpif90')) spack_env.set('MPIF90', join_path(self.prefix.bin, 'mpif90'))
def setup_dependent_package(self, module, dep_spec):
self.spec.mpicc = join_path(self.prefix.bin, 'mpicc')
self.spec.mpicxx = join_path(self.prefix.bin, 'mpic++')
self.spec.mpifc = join_path(self.prefix.bin, 'mpif90')
self.spec.mpif77 = join_path(self.prefix.bin, 'mpif77')
self.spec.cppflags = '-DMPICH_IGNORE_CXX_SEEK'
# def install(self, spec, prefix): # def install(self, spec, prefix):
# configure("--prefix=%s" % prefix) # configure("--prefix=%s" % prefix)
# make() # make()
......
...@@ -22,21 +22,6 @@ ...@@ -22,21 +22,6 @@
# License along with this program; if not, write to the Free Software # License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
############################################################################## ##############################################################################
#
# This is a template package file for Spack. We've put "FIXME"
# next to all the things you'll want to change. Once you've handled
# them, you can save this file and test your package like this:
#
# spack install plumed
#
# You can edit this file again by typing:
#
# spack edit plumed
#
# See the Spack documentation for more information on packaging.
# If you submit this package back to Spack as a pull request,
# please first remove this boilerplate and all FIXME comments.
#
from spack import * from spack import *
...@@ -51,11 +36,47 @@ class Plumed(Package): ...@@ -51,11 +36,47 @@ class Plumed(Package):
version('2.2.3', git="https://github.com/plumed/plumed2.git", tag='v2.2.3') version('2.2.3', git="https://github.com/plumed/plumed2.git", tag='v2.2.3')
# FIXME: Add additional dependencies if required. # Variants
depends_on('mpi') variant('crystallization', default=False,
description='Build support for optional crystallization module.')
variant('imd', default=False,
description='Build support for optional imd module.')
variant('manyrestraints', default=False,
description='Build support for optional manyrestraints module.')
variant('mpi', default=False,
description='Enable MPI support.')
# Dependencies
depends_on("mpi", when="+mpi")
depends_on("netlib-lapack")
depends_on("openblas")
def install(self, spec, prefix): def install(self, spec, prefix):
configure("--prefix=" + prefix, configure("--prefix=" + prefix)
"--enable-mpi", # "--enable-mpi",
"-enable-modules=crystallization") # "-enable-modules=crystallization")
# Construct list of optional modules
module_opts=[]
module_opts.extend([
'+crystallization' if '+crystallization' in spec else '-crystallization',
'+imd' if '+imd' in spec else '-imd',
'+manyrestraints' if '+manyrestraints' in spec else '-manyrestraints'
])
# Add optional arguments based on specs and variants
# config_args.extend([
# Modules
# "--enable-modules=%s" % "".join(module_opts) if module_opts is not None,
# "--enable-mpi" if '+mpi' in spec
# ])
if modules_opts:
config_args.extend(["--enable-modules=%s" % "".join(module_opts)])
config_args.extend([
"--enable-mpi" if '+mpi' in spec else "--disable-mpi"
])
make() make()
make("install")
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