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| author | Massimiliano Culpo <massimiliano.culpo@gmail.com> | 2018-06-11 18:42:13 +0200 |
|---|---|---|
| committer | Adam J. Stewart <ajstewart426@gmail.com> | 2018-06-11 11:42:13 -0500 |
| commit | 004e9b8948c44417997f0f0af94884436dcf5a4e (patch) | |
| tree | b020f677aae9362c40b5b7df19a0fb64003d08b9 | |
| parent | d943754e923a2c63017fa42519cabcef7dfca4aa (diff) | |
| download | spack-004e9b8948c44417997f0f0af94884436dcf5a4e.tar.gz spack-004e9b8948c44417997f0f0af94884436dcf5a4e.tar.bz2 spack-004e9b8948c44417997f0f0af94884436dcf5a4e.tar.xz spack-004e9b8948c44417997f0f0af94884436dcf5a4e.zip | |
Fixed compilation of quantum-espresso (#8439)
The patch to select ELPA API needs to be applied to
version 6.2.0 too.
The link line of hdf5 is computed incorrectly from
the configuration part of the build-system. To fix
this the relevant file (make.inc) is patched.
| -rw-r--r-- | var/spack/repos/builtin/packages/quantum-espresso/package.py | 22 |
1 files changed, 20 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index 96bdda65e2..a90eaf4b9d 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -82,8 +82,8 @@ class QuantumEspresso(Package): depends_on('elpa~openmp', when='+elpa~openmp') depends_on('hdf5', when='+hdf5') - patch('dspev_drv_elpa.patch', when='@6.1+elpa ^elpa@2016.05.004') - patch('dspev_drv_elpa.patch', when='@6.1+elpa ^elpa@2016.05.003') + patch('dspev_drv_elpa.patch', when='@6.1.0:+elpa ^elpa@2016.05.004') + patch('dspev_drv_elpa.patch', when='@6.1.0:+elpa ^elpa@2016.05.003') # We can't ask for scalapack or elpa if we don't want MPI conflicts( @@ -165,6 +165,24 @@ class QuantumEspresso(Package): configure(*options) + # Apparently the build system of QE is so broken that: + # + # 1. The variable reported on stdout as HDF5_LIBS is actually + # called HDF5_LIB (singular) + # 2. The link flags omit a few `-L` from the line, and this + # causes the linker to break + # + # Below we try to match the entire HDF5_LIB line and substitute + # with the list of libraries that needs to be linked. + if '+hdf5' in spec: + make_inc = join_path(self.stage.source_path, 'make.inc') + hdf5_libs = ' '.join(spec['hdf5:hl,fortran'].libs) + filter_file( + 'HDF5_LIB([\s]*)=([\s\w\-\/.,]*)', + 'HDF5_LIB = {0}'.format(hdf5_libs), + make_inc + ) + make('all') if 'platform=darwin' in spec: |