qe : compiled on rhle6
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@ -1,5 +1,6 @@
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from spack import *
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import os
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class Espresso(Package):
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"""
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@ -20,9 +21,10 @@ class Espresso(Package):
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depends_on('lapack')
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depends_on('mpi', when='+mpi')
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depends_on('elpa', when='+elpa+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation
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depends_on('fftw~mpi', when='~mpi')
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depends_on('fftw+mpi', when='+mpi')
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depends_on('scalapack', when='+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation
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def check_variants(self, spec):
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error = 'you cannot ask for \'+{variant}\' when \'+mpi\' is not active'
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if '+scalapack' in spec and '~mpi' in spec:
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@ -45,16 +47,19 @@ def install(self, spec, prefix):
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options.append('--with-scalapack=yes')
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if '+elpa' in spec:
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options.append('--with-elpa=%s' % spec['elpa'].prefix)
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options.append('--with-elpa=yes')
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# Add a list of directories to search
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search_list = []
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for name, dependency_spec in spec.dependencies.iteritems():
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print name
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search_list.extend([dependency_spec.prefix.lib,
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dependency_spec.prefix.lib64])
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search_list = " ".join(search_list)
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options.append('LIBDIRS=%s' % search_list)
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options.append('F90=%s' % os.environ['FC'])
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configure(*options)
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make('all')
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make('install')
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make('install')
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@ -48,10 +48,10 @@ class Mpich(Package):
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def setup_dependent_environment(self, module, spec, dep_spec):
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"""For dependencies, make mpicc's use spack wrapper."""
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os.environ['MPICH_CC'] = 'cc'
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os.environ['MPICH_CXX'] = 'c++'
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os.environ['MPICH_F77'] = 'f77'
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os.environ['MPICH_F90'] = 'f90'
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os.environ['MPICH_CC'] = os.environ['CC']
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os.environ['MPICH_CXX'] = os.environ['CXX']
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os.environ['MPICH_F77'] = os.environ['F77']
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os.environ['MPICH_FC'] = os.environ['FC']
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def install(self, spec, prefix):
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@ -19,7 +19,9 @@ def install(self, spec, prefix):
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with working_dir(prefix.lib):
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symlink('libopenblas.a', 'blas.a')
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symlink('libopenblas.a', 'libblas.a')
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symlink('libopenblas.so', 'libblas.so')
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# Lapack virtual package should provide liblapack.a
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with working_dir(prefix.lib):
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symlink('libopenblas.a', 'liblapack.a')
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symlink('libopenblas.so', 'liblapack.so')
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