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| author | Simon Pintarelli <1237199+simonpintarelli@users.noreply.github.com> | 2022-06-06 14:26:07 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2022-06-06 14:26:07 +0200 |
| commit | 8ef937032c6493b0cb634201fc591ab51eef2f6d (patch) | |
| tree | c8d94a9f54b4e5c67b24bde4fef548d4bdd06bd0 | |
| parent | 73ce789390619cf46bc1508fe462a67491230e75 (diff) | |
| download | spack-8ef937032c6493b0cb634201fc591ab51eef2f6d.tar.gz spack-8ef937032c6493b0cb634201fc591ab51eef2f6d.tar.bz2 spack-8ef937032c6493b0cb634201fc591ab51eef2f6d.tar.xz spack-8ef937032c6493b0cb634201fc591ab51eef2f6d.zip | |
quantum-espresso: support libxc also for autotools build (#30895)
| -rw-r--r-- | var/spack/repos/builtin/packages/quantum-espresso/package.py | 11 |
1 files changed, 7 insertions, 4 deletions
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index c19e1f2af9..8177fd157d 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -56,16 +56,15 @@ class QuantumEspresso(CMakePackage): with when('+cmake'): depends_on("cmake@3.14.0:", type="build") conflicts('@:6.7', msg='+cmake works since QE v6.8') - - variant('libxc', default=False, description='Uses libxc') - depends_on('libxc@5.1.2:', when='+libxc') - # TODO # variant( # 'gpu', default='none', description='Builds with GPU support', # values=('nvidia', 'none'), multi=False # ) + variant('libxc', default=False, description='Uses libxc') + depends_on('libxc@5.1.2:', when='+libxc') + variant('openmp', default=False, description='Enables openMP support') # Need OpenMP threaded FFTW and BLAS libraries when configured # with OpenMP support @@ -466,6 +465,10 @@ class QuantumEspresso(CMakePackage): scalapack_lib = spec['scalapack'].libs options.append('SCALAPACK_LIBS={0}'.format(scalapack_lib.ld_flags)) + if '+libxc' in spec: + options.append('--with-libxc=yes') + options.append('--with-libxc-prefix={0}'.format(spec['libxc'].prefix)) + if '+elpa' in spec: # Spec for elpa |