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fleur: update to use oneapi packages (#49500)

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Signed-off-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
This commit is contained in:
Massimiliano Culpo 2025-03-17 08:46:50 +01:00 committed by GitHub
parent a574a995f8
commit ad3fd4e7e9
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GPG Key ID: B5690EEEBB952194
1 changed files with 5 additions and 4 deletions
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9
var/spack/repos/builtin/packages/fleur/package.py
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@ -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)