diff --git a/var/spack/repos/builtin/packages/fleur/package.py b/var/spack/repos/builtin/packages/fleur/package.py index 1dab658c039..3827135a9b7 100644 --- a/var/spack/repos/builtin/packages/fleur/package.py +++ b/var/spack/repos/builtin/packages/fleur/package.py @@ -16,6 +16,7 @@ class Fleur(Package): license("MIT") version("develop", branch="develop") + version("7.2", tag="MaX-R7.2", commit="447eed3b7ec3de5fcdfbd232cd1eda4caefb51d3") version("5.1", tag="MaX-R5.1", commit="a482abd9511b16412c2222e2ac1b1a303acd454b") version("5.0", tag="MaX-R5", commit="f2df362c3dad6ef39938807ea14e4ec4cb677723") version("4.0", tag="MaX-R4", commit="ea0db7877451e6240124e960c5546318c9ab3953") @@ -53,7 +54,7 @@ class Fleur(Package): depends_on("lapack") depends_on("libxml2") depends_on("mpi", when="+mpi") - depends_on("intel-mkl", when="fft=mkl") + depends_on("intel-oneapi-mkl", when="fft=mkl") depends_on("fftw-api", when="fft=fftw") depends_on("scalapack", when="+scalapack") depends_on("libxc", when="+external_libxc") @@ -108,9 +109,9 @@ def configure(self): options["-includedir"].append(join_path(spec["libxml2"].prefix.include, "libxml2")) if spec.satisfies("fft=mkl"): - options["-link"].append(spec["intel-mkl"].libs.link_flags) - options["-libdir"].append(spec["intel-mkl"].prefix.lib) - options["-includedir"].append(spec["intel-mkl"].prefix.include) + options["-link"].append(spec["intel-oneapi-mkl"].libs.link_flags) + options["-libdir"].append(spec["intel-oneapi-mkl"].prefix.lib) + options["-includedir"].append(spec["intel-oneapi-mkl"].prefix.include) if spec.satisfies("fft=fftw"): options["-link"].append(spec["fftw-api"].libs.link_flags) options["-libdir"].append(spec["fftw-api"].prefix.lib)