From 35ad3bb0fc7cb9e6bcd0641e66d4920bba6943be Mon Sep 17 00:00:00 2001 From: Toyohisa Kameyama 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 v1.2.3-60-g2f50