From ec58f28c209d1ffef51424b5d1423aa219c143a4 Mon Sep 17 00:00:00 2001
From: "Nichols A. Romero" <naromero77@users.noreply.github.com>
Date: Wed, 24 Jun 2020 09:30:00 -0500
Subject: [PATCH] quantum-espresso: fix for scalapack with openmpi (#17179)
---
.../repos/builtin/packages/quantum-espresso/package.py | 8 +++++++-
1 file changed, 7 insertions(+), 1 deletion(-)
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py
index 35454ae3ef..2fe01f864f 100644
--- a/var/spack/repos/builtin/packages/quantum-espresso/package.py
+++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py
@@ -307,7 +307,13 @@ def install(self, spec, prefix):
options.append('BLAS_LIBS={0}'.format(lapack_blas.ld_flags))
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))
if '+elpa' in spec:
--
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