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sirius: add rocsolver/wannier90 (#37900)

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* sirius: add rocsolver dependency for 7.5:
* add wannier90
This commit is contained in:
Simon Pintarelli 2023-05-26 00:58:04 +02:00 committed by GitHub
parent 9a99c94b75
commit 9dc4553cf3
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 7 additions and 1 deletions
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var/spack/repos/builtin/packages/sirius/package.py
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@ -150,7 +150,8 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
variant("vdwxc", default=False, description="Enable libvdwxc support")
variant("scalapack", default=False, description="Enable scalapack support")
variant("magma", default=False, description="Enable MAGMA support")
variant("nlcglib", default=False, description="enable robust wave function optimization")
variant("nlcglib", default=False, description="Enable robust wave function optimization")
variant("wannier90", default=False, description="Enable Wannier90 library")
variant(
"build_type",
default="Release",
@ -211,6 +212,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
depends_on("scalapack", when="+scalapack")
depends_on("rocblas", when="+rocm")
depends_on("rocsolver", when="@7.5.0: +rocm")
# FindHIP cmake script only works for < 4.1
depends_on("hip@:4.0", when="@:7.2.0 +rocm")
@ -227,6 +229,9 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
depends_on("blis threads=openmp", when="+openmp ^blis")
depends_on("intel-mkl threads=openmp", when="+openmp ^intel-mkl")
depends_on("wannier90", when="@7.5.0: +wannier90")
depends_on("wannier90+shared", when="@7.5.0: +wannier90+shared")
depends_on("elpa+openmp", when="+elpa+openmp")
depends_on("elpa~openmp", when="+elpa~openmp")
@ -285,6 +290,7 @@ def cmake_args(self):
self.define_from_variant("BUILD_SHARED_LIBS", "shared"),
self.define_from_variant("USE_FP32", "single_precision"),
self.define_from_variant("USE_PROFILER", "profiler"),
self.define_from_variant("USE_WANNIER90", "wannier90"),
]
lapack = spec["lapack"]