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| author | Simon Pintarelli <1237199+simonpintarelli@users.noreply.github.com> | 2023-05-26 00:58:04 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-05-25 15:58:04 -0700 |
| commit | 9dc4553cf39ac3e6a24c6e8c86e25a724febc150 (patch) | |
| tree | 19aeab36bc904e83b3e36cd6773af6ef6ebb1458 | |
| parent | 9a99c94b754daf078e7566b39ccc0362eb8ebd5d (diff) | |
| download | spack-9dc4553cf39ac3e6a24c6e8c86e25a724febc150.tar.gz spack-9dc4553cf39ac3e6a24c6e8c86e25a724febc150.tar.bz2 spack-9dc4553cf39ac3e6a24c6e8c86e25a724febc150.tar.xz spack-9dc4553cf39ac3e6a24c6e8c86e25a724febc150.zip | |
sirius: add rocsolver/wannier90 (#37900)
* sirius: add rocsolver dependency for 7.5:
* add wannier90
| -rw-r--r-- | var/spack/repos/builtin/packages/sirius/package.py | 8 |
1 files changed, 7 insertions, 1 deletions
diff --git a/var/spack/repos/builtin/packages/sirius/package.py b/var/spack/repos/builtin/packages/sirius/package.py index 641a908377..c171e59113 100644 --- a/var/spack/repos/builtin/packages/sirius/package.py +++ b/var/spack/repos/builtin/packages/sirius/package.py @@ -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 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): 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"] |