diff options
| -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"] |