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cp2k: enable linking with armpl-gcc for BLAS and FFT (#34981)

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Annop Wongwathanarat 2023-01-17 17:34:43 +00:00 committed by GitHub
parent c0389ab3d0
commit 10d5f14c85
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1 changed files with 4 additions and 0 deletions
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var/spack/repos/builtin/packages/cp2k/package.py
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@ -116,6 +116,7 @@ class Cp2k(MakefilePackage, CudaPackage):
depends_on("fftw+openmp", when="^fftw")
depends_on("amdfftw+openmp", when="^amdfftw")
depends_on("cray-fftw+openmp", when="^cray-fftw")
depends_on("armpl-gcc threads=openmp", when="^armpl-gcc")
depends_on("openblas threads=openmp", when="^openblas")
# The Cray compiler wrappers will automatically add libsci_mp with
# -fopenmp. Since CP2K unconditionally links blas/lapack/scalapack
@ -276,6 +277,9 @@ def edit(self, spec, prefix):
elif "^amdfftw" in spec:
fftw = spec["amdfftw:openmp" if "+openmp" in spec else "amdfftw"]
fftw_header_dir = fftw.headers.directories[0]
elif "^armpl-gcc" in spec:
fftw = spec["armpl-gcc:openmp" if "+openmp" in spec else "armpl-gcc"]
fftw_header_dir = fftw.headers.directories[0]
elif "^intel-mkl" in spec:
fftw = spec["intel-mkl"]
fftw_header_dir = fftw.headers.directories[0] + "/fftw"