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QMCPACK: fix use of MPI wrappers (#27744)

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Ye Luo 2021-12-01 20:39:06 -06:00 committed by GitHub
parent d0beab8012
commit 1cdb764422
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1 changed files with 8 additions and 10 deletions
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18
var/spack/repos/builtin/packages/qmcpack/package.py
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@ -216,6 +216,13 @@ def build_targets(self):
return targets return targets
# QMCPACK prefers taking MPI compiler wrappers as CMake compilers.
def setup_build_environment(self, env):
spec = self.spec
if '+mpi' in spec:
env.set('CC', spec['mpi'].mpicc)
env.set('CXX', spec['mpi'].mpicxx)
def cmake_args(self): def cmake_args(self):
spec = self.spec spec = self.spec
args = [] args = []
@ -353,20 +360,11 @@ def cmake_args(self):
return args return args
# QMCPACK needs custom install method for a couple of reasons: # QMCPACK needs custom install method for the following reason:
# Firstly, wee follow the recommendation on the Spack website
# for defining the compilers variables to be the MPI compiler wrappers.
# https://spack.readthedocs.io/en/latest/packaging_guide.html#compiler-wrappers
#
# Note that 3.6.0 release and later has a functioning 'make install', # Note that 3.6.0 release and later has a functioning 'make install',
# but still does not install nexus, manual, etc. So, there is no compelling # but still does not install nexus, manual, etc. So, there is no compelling
# reason to use QMCPACK's built-in version at this time. # reason to use QMCPACK's built-in version at this time.
def install(self, spec, prefix): def install(self, spec, prefix):
if '+mpi' in spec:
env['CC'] = spec['mpi'].mpicc
env['CXX'] = spec['mpi'].mpicxx
env['F77'] = spec['mpi'].mpif77
env['FC'] = spec['mpi'].mpifc
# create top-level directory # create top-level directory
mkdirp(prefix) mkdirp(prefix)