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Remove MPI support, fix INCLUDE filters

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This commit is contained in:
Adam J. Stewart 2016-06-15 13:55:51 -05:00
parent 7b97ea248a
commit 44e188f111
1 changed files with 16 additions and 21 deletions
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37
var/spack/repos/builtin/packages/psi4/package.py
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@ -36,19 +36,15 @@ class Psi4(Package):
version('0.5', '53041b8a9be3958384171d0d22f9fdd0')
variant('mpi', default=True, description='Enable MPI parallelization')
# Required dependencies
depends_on('blas')
depends_on('lapack')
depends_on('boost+chrono+filesystem~mpi+python+regex+serialization+system+timer+thread', when='~mpi')
depends_on('boost+chrono+filesystem+mpi+python+regex+serialization+system+timer+thread', when='+mpi')
depends_on('boost+chrono+filesystem+python+regex+serialization+system+timer+thread')
depends_on('python')
depends_on('cmake')
depends_on('py-numpy')
# Optional dependencies
depends_on('mpi', when='+mpi')
# TODO: add packages for these
# depends_on('perl')
# depends_on('erd')
@ -63,7 +59,6 @@ def install(self, spec, prefix):
'-DLAPACK_LIBRARIES={0}'.format(spec['lapack'].lapack_shared_lib),
'-DBOOST_INCLUDEDIR={0}'.format(spec['boost'].prefix.include),
'-DBOOST_LIBRARYDIR={0}'.format(spec['boost'].prefix.lib),
'-DENABLE_MPI={0}'.format('ON' if '+mpi' in spec else 'OFF'),
'-DENABLE_CHEMPS2=OFF'
]
@ -73,12 +68,11 @@ def install(self, spec, prefix):
cmake('..', *cmake_args)
make()
ctest()
make('install')
self.filter_compilers(spec)
self.filter_compilers(spec, prefix)
def filter_compilers(self, spec):
def filter_compilers(self, spec, prefix):
"""Run after install to tell the configuration files to
use the compilers that Spack built the package with.
@ -94,27 +88,28 @@ def filter_compilers(self, spec):
for filename in cc_files:
filter_file(os.environ['CC'], self.compiler.cc,
os.path.join(self.prefix, filename), **kwargs)
os.path.join(prefix, filename), **kwargs)
for filename in cxx_files:
filter_file(os.environ['CXX'], self.compiler.cxx,
os.path.join(self.prefix, filename), **kwargs)
os.path.join(prefix, filename), **kwargs)
# The binary still keeps track of the compiler used to install Psi4
# and uses it when creating a plugin template
filter_file('@PLUGIN_CXX@', self.compiler.cxx,
os.path.join(self.prefix, template), **kwargs)
os.path.join(prefix, template), **kwargs)
# The binary links to the build include directory instead of the
# installation include directory:
# https://github.com/psi4/psi4/issues/410
filter_file('@PLUGIN_INCLUDES@', '-I{0}'.format(
' -I'.join(
spec['psi4'].prefix.include,
spec['boost'].prefix.include,
spec['lapack'].prefix.include,
spec['blas'].prefix.include,
spec['python'].prefix.include,
'/usr/include'
)
), os.path.join(self.prefix, template), **kwargs)
' -I'.join([
os.path.join(spec['psi4'].prefix.include, 'psi4'),
os.path.join(spec['boost'].prefix.include, 'boost'),
os.path.join(spec['python'].prefix.include, 'python{0}'.format(
spec['python'].version.up_to(2))),
spec['lapack'].prefix.include,
spec['blas'].prefix.include,
'/usr/include'
])
), os.path.join(prefix, template), **kwargs)