diff --git a/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb b/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb index cccdfedf..d52e24b9 100644 --- a/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb +++ b/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb @@ -47,7 +47,7 @@ configopts += ' -DBUILD_AFQMC=ON ' # FCIQMC fails #configopts += '-DQMC_COMPLEX=1' preinstallopts = [ -# ' ctest -j128 -V short -LE unstable || true && ' # run CMake tests in parallel +# ' ctest -j128 -V short -LE unstable && ' # 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/ && ', diff --git a/q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb b/q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb index e27ee5ec..4face9a9 100644 --- a/q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb +++ b/q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb @@ -23,7 +23,7 @@ toolchainopts = {'opt': True, 'usempi': True} source_urls = ['https://github.com/QMCPACK/qmcpack/archive/'] sources = ['v%(version)s.tar.gz'] -builddependencies = [('CMake', '3.20.1')] +builddependencies = [('CMake', '3.20.1', '', True),] # delete GCC from the module file - hack for compilation with intel toolchain dependencies = [ @@ -35,7 +35,7 @@ dependencies = [ ('SciPy-bundle', '2020.11'), ('FFTW', '3.3.8'), # ('PySCF', '2.0.1'), # does not work with intel toolchain - ('GCC', '8.3.0-2.32', '', True), # downgrade from 9.3.0 to compile 3.14.0 + ('GCC', '9.3.0', '', True), # downgrade from 9.3.0 to compile 3.14.0 ] separate_build_dir = True @@ -53,7 +53,7 @@ configopts += ' -DBUILD_AFQMC=ON ' # FCIQMC fails #configopts += '-DQMC_COMPLEX=1' preinstallopts = [ -# ' ctest -j128 -V -R short -LE unstable && ' # run CMake tests in parallel + ' ctest -j128 -V -R short -LE unstable && ' # 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/ && ',