ADD: quantum-espresso PSI

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"))