zhangyiss/spack
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fixed compilation of quantum-espresso (#8439)

Browse Source 
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.
This commit is contained in:
Massimiliano Culpo 2018-06-11 18:42:13 +02:00 committed by Adam J. Stewart
parent d943754e92
commit 004e9b8948
1 changed files with 20 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

22
var/spack/repos/builtin/packages/quantum-espresso/package.py
View File

@ -82,8 +82,8 @@ class QuantumEspresso(Package):
depends_on('elpa~openmp', when='+elpa~openmp') depends_on('elpa~openmp', when='+elpa~openmp')
depends_on('hdf5', when='+hdf5') depends_on('hdf5', when='+hdf5')
patch('dspev_drv_elpa.patch', when='@6.1+elpa ^elpa@2016.05.004') patch('dspev_drv_elpa.patch', when='@6.1.0:+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@2016.05.003')
# We can't ask for scalapack or elpa if we don't want MPI # We can't ask for scalapack or elpa if we don't want MPI
conflicts( conflicts(
@ -165,6 +165,24 @@ def install(self, spec, prefix):
configure(*options) 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') make('all')
if 'platform=darwin' in spec: if 'platform=darwin' in spec: