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quantum-espresso: fix for scalapack with openmpi (#17179)

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Nichols A. Romero 2020-06-24 09:30:00 -05:00 committed by GitHub
parent 577a88880e
commit ec58f28c20
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1 changed files with 7 additions and 1 deletions
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8
var/spack/repos/builtin/packages/quantum-espresso/package.py
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@ -307,7 +307,13 @@ def install(self, spec, prefix):
options.append('BLAS_LIBS={0}'.format(lapack_blas.ld_flags)) options.append('BLAS_LIBS={0}'.format(lapack_blas.ld_flags))
if '+scalapack' in spec: if '+scalapack' in spec:
scalapack_option = 'intel' if '^mkl' in spec else 'yes' if '^mkl' in spec:
if '^openmpi' in spec:
scalapack_option = 'yes'
else: # mpich, intel-mpi
scalapack_option = 'intel'
else:
scalapack_option = 'yes'
options.append('--with-scalapack={0}'.format(scalapack_option)) options.append('--with-scalapack={0}'.format(scalapack_option))
if '+elpa' in spec: if '+elpa' in spec: