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modified: q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb

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easybuild 2023-02-07 18:22:11 +01:00
parent 805ce91c3d
commit bff9617a1c
1 changed files with 3 additions and 2 deletions
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q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb
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@ -35,7 +35,7 @@ dependencies = [
separate_build_dir = True
configopts = ' -DENABLE_SOA=1 '
configopts = ' -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx '
configopts += ' -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx '
configopts += ' -DHDF5_PREFER_PARALLEL=1 -DENABLE_PHDF5=1 '
configopts += ' -DQMC_SYMLINK_TEST_FILES=0 '
configopts += ' -DCMAKE_BUILD_TYPE=Release '
@ -47,7 +47,8 @@ configopts += ' -DBUILD_AFQMC=ON ' # FCIQMC fails
#configopts += '-DQMC_COMPLEX=1'
preinstallopts = [
# ' ctest -j32 -V short -LE unstable && ' # run CMake tests in parallel
# 'ctest -j32 -V -R short -LE unstable && ',
' ctest -j32 -V -R unit && ' # run CMake tests in parallel
' mkdir -p %(installdir)s/nexus && ',
' mkdir -p %(installdir)s/QMCTools && ',
' cp -r %(builddir)s/qmcpack-%(version)s/nexus %(installdir)s/ && ',