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nwchem: fix lapack detection

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This commit is contained in:
Denis Davydov 2016-08-23 16:46:40 +02:00
parent 7eb386e55e
commit 6500ac80e4
1 changed files with 4 additions and 0 deletions
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4
var/spack/repos/builtin/packages/nwchem/package.py
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@ -75,6 +75,8 @@ def install(self, spec, prefix):
'BLASOPT=%s %s' % ( 'BLASOPT=%s %s' % (
to_link_flags(spec['lapack'].lapack_shared_lib), to_link_flags(spec['lapack'].lapack_shared_lib),
to_link_flags(spec['blas'].blas_shared_lib)), to_link_flags(spec['blas'].blas_shared_lib)),
'BLAS_LIB=%s' % to_link_flags(spec['blas'].blas_shared_lib),
'LAPACK_LIB=%s' % to_link_flags(spec['lapack'].lapack_shared_lib),
'USE_SCALAPACK=y', 'USE_SCALAPACK=y',
'SCALAPACK=%s' % spec['scalapack'].fc_link, 'SCALAPACK=%s' % spec['scalapack'].fc_link,
'NWCHEM_MODULES=all', 'NWCHEM_MODULES=all',
@ -90,11 +92,13 @@ def install(self, spec, prefix):
args.extend([ args.extend([
'USE_64TO32=y', 'USE_64TO32=y',
'BLAS_SIZE=4', 'BLAS_SIZE=4',
'LAPACK_SIZE=4',
'SCALAPACK_SIZE=4' 'SCALAPACK_SIZE=4'
]) ])
else: else:
args.extend([ args.extend([
'BLAS_SIZE=8', 'BLAS_SIZE=8',
'LAPACK_SIZE=8'
'SCALAPACK_SIZE=8' 'SCALAPACK_SIZE=8'
]) ])