diff --git a/q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb b/q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb index 9fce37e5..b23a3136 100644 --- a/q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb +++ b/q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb @@ -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/ && ',