diff --git a/packages/quantum-espresso/package.py b/packages/quantum-espresso/package.py new file mode 100644 index 0000000..ef4f13e --- /dev/null +++ b/packages/quantum-espresso/package.py @@ -0,0 +1,14 @@ +# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other +# Spack Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: (Apache-2.0 OR MIT) + +import os + +from spack.package import * +from spack.pkg.builtin.quantum_espresso import QuantumEspresso as SpackQuantumEspresso + +class QuantumEspresso(SpackQuantumEspresso): + + with when("%nvhpc +cuda"): + depends_on("cuda", type=("build","link","run"))