From 35ad3bb0fc7cb9e6bcd0641e66d4920bba6943be Mon Sep 17 00:00:00 2001
From: Toyohisa Kameyama <kameyama@riken.jp>
Date: Thu, 22 Oct 2020 00:03:54 +0900
Subject: quantum-espresso: fix build fail @6.6 and add conflicts a64fx.
(#19383)
* quantum-espresso: fix build fail @6.6 and add conflicts a64fx.
* get patch to gitlab.
* Add +patch
---
var/spack/repos/builtin/packages/quantum-espresso/package.py | 10 +++++++++-
1 file changed, 9 insertions(+), 1 deletion(-)
(limited to 'var')
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py
index e1e623a6f0..67c5a43f12 100644
--- a/var/spack/repos/builtin/packages/quantum-espresso/package.py
+++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py
@@ -175,6 +175,10 @@ class QuantumEspresso(Package):
conflicts('@:6.2,6.5:', when='+qmcpack',
msg='QMCPACK converter NOT available for this version of QE')
+ # Internal compiler error gcc8 and a64fx, I check only 6.5 and 6.6
+ conflicts('@5.3:', when='%gcc@8 target=a64fx',
+ msg='Internal compiler error with gcc8 and a64fx')
+
# 6.4.1
patch_url = 'https://raw.githubusercontent.com/QMCPACK/qmcpack/develop/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.4.1.diff'
patch_checksum = '57cb1b06ee2653a87c3acc0dd4f09032fcf6ce6b8cbb9677ae9ceeb6a78f85e2'
@@ -193,6 +197,10 @@ class QuantumEspresso(Package):
patch('dspev_drv_elpa.patch', when='@6.1.0:+elpa ^elpa@2016.05.003')
# QE UPSTREAM PATCHES
+ # QE 6.6 fix conpile error when FFT_LIBS is specified.
+ patch('https://gitlab.com/QEF/q-e/-/commit/cf1fedefc20d39f5cd7551ded700ea4c77ad6e8f.diff',
+ sha256='8f179663a8d031aff9b1820a32449942281195b6e7b1ceaab1f729651b43fa58',
+ when='+patch@6.6')
# QE 6.3 requires multiple patches to fix MKL detection
# There may still be problems on Mac with MKL detection
patch('https://gitlab.com/QEF/q-e/commit/0796e1b7c55c9361ecb6515a0979280e78865e36.diff',
@@ -350,7 +358,7 @@ class QuantumEspresso(Package):
# can't be applied to the '+qmcpack' variant
if spec.variants['hdf5'].value != 'none':
if (spec.satisfies('@6.1.0:6.4.0') or
- (spec.satisfies('@6.4.1') and '+qmcpack' in spec)):
+ (spec.satisfies('@6.4.1') and '+qmcpack' in spec)):
make_inc = join_path(self.stage.source_path, 'make.inc')
zlib_libs = spec['zlib'].prefix.lib + ' -lz'
filter_file(
--
cgit v1.2.3-70-g09d2