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quantum-espresso: enable linking with armpl-gcc and acfl for BLAS and FFT (#34416)

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Annop Wongwathanarat 2022-12-22 08:50:51 +00:00 committed by GitHub
parent e9ea9e2316
commit 6d64ffdd1a
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var/spack/repos/builtin/packages/quantum-espresso/package.py
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@ -74,6 +74,8 @@ class QuantumEspresso(CMakePackage, Package):
depends_on("openblas threads=openmp", when="^openblas") depends_on("openblas threads=openmp", when="^openblas")
depends_on("amdblis threads=openmp", when="^amdblis") depends_on("amdblis threads=openmp", when="^amdblis")
depends_on("intel-mkl threads=openmp", when="^intel-mkl") depends_on("intel-mkl threads=openmp", when="^intel-mkl")
depends_on("armpl-gcc threads=openmp", when="^armpl-gcc")
depends_on("acfl threads=openmp", when="^acfl")
# Add Cuda Fortran support # Add Cuda Fortran support
# depends on NVHPC compiler, not directly on CUDA toolkit # depends on NVHPC compiler, not directly on CUDA toolkit
@ -407,6 +409,13 @@ def cmake_args(self):
if "+qmcpack" in spec: if "+qmcpack" in spec:
cmake_args.append(self.define("QE_ENABLE_PW2QMCPACK", True)) cmake_args.append(self.define("QE_ENABLE_PW2QMCPACK", True))
if "^armpl-gcc" in spec or "^acfl" in spec:
cmake_args.append(self.define("BLAS_LIBRARIES", spec["blas"].libs.joined(";")))
cmake_args.append(self.define("LAPACK_LIBRARIES", spec["lapack"].libs.joined(";")))
# Up to q-e@7.1 set BLA_VENDOR to All to force detection of vanilla scalapack
if spec.satisfies("@:7.1"):
cmake_args.append(self.define("BLA_VENDOR", "All"))
return cmake_args return cmake_args