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quantum-espresso: fix build fail @6.6 and add conflicts a64fx. (#19383)

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* quantum-espresso: fix build fail @6.6 and add conflicts a64fx.

* get patch to gitlab.

* Add +patch
This commit is contained in:
Toyohisa Kameyama 2020-10-22 00:03:54 +09:00 committed by GitHub
parent 1147220b9b
commit 35ad3bb0fc
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1 changed files with 9 additions and 1 deletions
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var/spack/repos/builtin/packages/quantum-espresso/package.py
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@ -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 @@ def install(self, spec, prefix):
# 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(