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Use sirius namespacing for cmake (#38707)

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* Use sirius namespacing for cmake

* Formating

* Fix lapack variables
This commit is contained in:
Taillefumier Mathieu 2023-07-14 16:43:49 +02:00 committed by GitHub
parent 9259a6aae4
commit c94137f6ea
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 31 additions and 23 deletions
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54
var/spack/repos/builtin/packages/sirius/package.py
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@ -273,24 +273,28 @@ def libs(self):
def cmake_args(self):
spec = self.spec
cm_label = ""
if "@7.5:" in spec:
cm_label = "SIRIUS_"
args = [
self.define_from_variant("USE_OPENMP", "openmp"),
self.define_from_variant("USE_ELPA", "elpa"),
self.define_from_variant("USE_MAGMA", "magma"),
self.define_from_variant("USE_NLCGLIB", "nlcglib"),
self.define_from_variant("USE_VDWXC", "vdwxc"),
self.define_from_variant("USE_MEMORY_POOL", "memory_pool"),
self.define_from_variant("USE_SCALAPACK", "scalapack"),
self.define_from_variant("CREATE_FORTRAN_BINDINGS", "fortran"),
self.define_from_variant("CREATE_PYTHON_MODULE", "python"),
self.define_from_variant("USE_CUDA", "cuda"),
self.define_from_variant("USE_ROCM", "rocm"),
self.define_from_variant("BUILD_TESTING", "tests"),
self.define_from_variant("BUILD_APPS", "apps"),
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"),
self.define_from_variant(cm_label + "USE_OPENMP", "openmp"),
self.define_from_variant(cm_label + "USE_ELPA", "elpa"),
self.define_from_variant(cm_label + "USE_MAGMA", "magma"),
self.define_from_variant(cm_label + "USE_NLCGLIB", "nlcglib"),
self.define_from_variant(cm_label + "USE_VDWXC", "vdwxc"),
self.define_from_variant(cm_label + "USE_MEMORY_POOL", "memory_pool"),
self.define_from_variant(cm_label + "USE_SCALAPACK", "scalapack"),
self.define_from_variant(cm_label + "CREATE_FORTRAN_BINDINGS", "fortran"),
self.define_from_variant(cm_label + "CREATE_PYTHON_MODULE", "python"),
self.define_from_variant(cm_label + "USE_CUDA", "cuda"),
self.define_from_variant(cm_label + "USE_ROCM", "rocm"),
self.define_from_variant(cm_label + "BUILD_TESTING", "tests"),
self.define_from_variant(cm_label + "BUILD_APPS", "apps"),
self.define_from_variant(cm_label + "BUILD_SHARED_LIBS", "shared"),
self.define_from_variant(cm_label + "USE_FP32", "single_precision"),
self.define_from_variant(cm_label + "USE_PROFILER", "profiler"),
self.define_from_variant(cm_label + "USE_WANNIER90", "wannier90"),
]
lapack = spec["lapack"]
@ -308,21 +312,25 @@ def cmake_args(self):
if "+scalapack" in spec and "^cray-libsci" not in spec:
args.extend(
[
self.define("SCALAPACK_FOUND", "true"),
self.define("SCALAPACK_INCLUDE_DIRS", spec["scalapack"].prefix.include),
self.define("SCALAPACK_LIBRARIES", spec["scalapack"].libs.joined(";")),
self.define(cm_label + "SCALAPACK_FOUND", "true"),
self.define(
cm_label + "SCALAPACK_INCLUDE_DIRS", spec["scalapack"].prefix.include
),
self.define(
cm_label + "SCALAPACK_LIBRARIES", spec["scalapack"].libs.joined(";")
),
]
)
if "^cray-libsci" in spec:
args.append(self.define("USE_CRAY_LIBSCI", "ON"))
args.append(self.define(cm_label + "USE_CRAY_LIBSCI", "ON"))
if spec["blas"].name in ["intel-mkl", "intel-parallel-studio", "intel-oneapi-mkl"]:
args.append(self.define("USE_MKL", "ON"))
args.append(self.define(cm_label + "USE_MKL", "ON"))
if "+elpa" in spec:
elpa_incdir = os.path.join(spec["elpa"].headers.directories[0], "elpa")
args.append(self.define("ELPA_INCLUDE_DIR", elpa_incdir))
args.append(self.define(cm_label + "ELPA_INCLUDE_DIR", elpa_incdir))
if "+cuda" in spec:
cuda_arch = spec.variants["cuda_arch"].value