qe : compiled on rhle6

This commit is contained in:
Massimiliano Culpo 2016-02-12 12:08:31 +01:00
parent e8704433de
commit 70985170e5
3 changed files with 16 additions and 9 deletions

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@ -1,5 +1,6 @@
from spack import *
import os
class Espresso(Package):
"""
@ -20,9 +21,10 @@ class Espresso(Package):
depends_on('lapack')
depends_on('mpi', when='+mpi')
depends_on('elpa', when='+elpa+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation
depends_on('fftw~mpi', when='~mpi')
depends_on('fftw+mpi', when='+mpi')
depends_on('scalapack', when='+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation
def check_variants(self, spec):
error = 'you cannot ask for \'+{variant}\' when \'+mpi\' is not active'
if '+scalapack' in spec and '~mpi' in spec:
@ -45,16 +47,19 @@ def install(self, spec, prefix):
options.append('--with-scalapack=yes')
if '+elpa' in spec:
options.append('--with-elpa=%s' % spec['elpa'].prefix)
options.append('--with-elpa=yes')
# Add a list of directories to search
search_list = []
for name, dependency_spec in spec.dependencies.iteritems():
print name
search_list.extend([dependency_spec.prefix.lib,
dependency_spec.prefix.lib64])
search_list = " ".join(search_list)
options.append('LIBDIRS=%s' % search_list)
options.append('F90=%s' % os.environ['FC'])
configure(*options)
make('all')
make('install')
make('install')

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@ -48,10 +48,10 @@ class Mpich(Package):
def setup_dependent_environment(self, module, spec, dep_spec):
"""For dependencies, make mpicc's use spack wrapper."""
os.environ['MPICH_CC'] = 'cc'
os.environ['MPICH_CXX'] = 'c++'
os.environ['MPICH_F77'] = 'f77'
os.environ['MPICH_F90'] = 'f90'
os.environ['MPICH_CC'] = os.environ['CC']
os.environ['MPICH_CXX'] = os.environ['CXX']
os.environ['MPICH_F77'] = os.environ['F77']
os.environ['MPICH_FC'] = os.environ['FC']
def install(self, spec, prefix):

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@ -19,7 +19,9 @@ def install(self, spec, prefix):
with working_dir(prefix.lib):
symlink('libopenblas.a', 'blas.a')
symlink('libopenblas.a', 'libblas.a')
symlink('libopenblas.so', 'libblas.so')
# Lapack virtual package should provide liblapack.a
with working_dir(prefix.lib):
symlink('libopenblas.a', 'liblapack.a')
symlink('libopenblas.so', 'liblapack.so')