[sirius] update spack recipe; add v7.5.0 (#41233)

* update spack recipe

* [@spackbot] updating style on behalf of toxa81

* change  from @develop to @7.5.0

* return dependency on boost_filesystem

* return dependency on boost_filesystem

* remove boost filesystem as agreed by @RMeli and  @simonpintarelli

---------

Co-authored-by: toxa81 <toxa81@users.noreply.github.com>

1 files changed, 13 insertions, 11 deletions

diff --git a/var/spack/repos/builtin/packages/sirius/package.py b/var/spack/repos/builtin/packages/sirius/package.py
index 20f5a4246d..fd73c669ec 100644
--- a/var/spack/repos/builtin/packages/sirius/package.py
+++ b/var/spack/repos/builtin/packages/sirius/package.py
@@ -21,6 +21,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
     version("develop", branch="develop")
     version("master", branch="master")
 
+    version("7.5.0", sha256="c583f88ffc02e9acac24e786bc35c7c32066882d2f70a1e0c14b5780b510365d")
     version("7.4.3", sha256="015679a60a39fa750c5d1bd8fb1ce73945524bef561270d8a171ea2fd4687fec")
     version("7.4.0", sha256="f9360a695a1e786d8cb9d6702c82dd95144a530c4fa7e8115791c7d1e92b020b")
     version("7.3.2", sha256="a256508de6b344345c295ad8642dbb260c4753cd87cc3dd192605c33542955d7")
@@ -79,17 +80,11 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
 
     variant("shared", default=True, description="Build shared libraries")
     variant("openmp", default=True, description="Build with OpenMP support")
-    variant(
-        "boost_filesystem",
-        default=False,
-        description="Use Boost filesystem for self-consistent field method "
-        "mini-app. Only required when the compiler does not "
-        "support std::experimental::filesystem nor std::filesystem",
-    )
     variant("fortran", default=False, description="Build Fortran bindings")
     variant("python", default=False, description="Build Python bindings")
     variant("memory_pool", default=True, description="Build with memory pool")
     variant("elpa", default=False, description="Use ELPA")
+    variant("dlaf", default=False, when="@7.5.0:", description="Use DLA-Future")
     variant("vdwxc", default=False, description="Enable libvdwxc support")
     variant("scalapack", default=False, description="Enable scalapack support")
     variant("magma", default=False, description="Enable MAGMA support")
@@ -107,6 +102,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
     variant(
         "profiler", default=True, description="Use internal profiler to measure execution time"
     )
+    variant("nvtx", default=False, description="Use NVTX profiler")
 
     depends_on("cmake@3.23:", type="build")
     depends_on("mpi")
@@ -133,7 +129,6 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
     extends("python", when="+python")
 
     depends_on("magma", when="+magma")
-    depends_on("boost cxxstd=14 +filesystem", when="+boost_filesystem")
 
     depends_on("spfft@0.9.13:", when="@7.0.1:")
     depends_on("spfft+single_precision", when="+single_precision ^spfft")
@@ -154,13 +149,18 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
 
     depends_on("scalapack", when="+scalapack")
 
+    with when("+dlaf"):
+        depends_on("dla-future@0.3.0:")
+        depends_on("dla-future +scalapack", when="+scalapack")
+        depends_on("dla-future +cuda", when="+cuda")
+        depends_on("dla-future +rocm", when="+rocm")
+
     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")
 
-    conflicts("+boost_filesystem", when="~apps")
     conflicts("^libxc@5.0.0")  # known to produce incorrect results
     conflicts("+single_precision", when="@:7.2.4")
     conflicts("+scalapack", when="^cray-libsci")
@@ -203,15 +203,17 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
             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 + "USE_DLAF", "dlaf"),
             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_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_NVTX", "nvtx"),
             self.define_from_variant(cm_label + "USE_WANNIER90", "wannier90"),
+            self.define_from_variant("BUILD_SHARED_LIBS", "shared"),
             self.define_from_variant("BUILD_TESTING", "tests"),
         ]
 
@@ -254,7 +256,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
             cuda_arch = spec.variants["cuda_arch"].value
             if cuda_arch[0] != "none":
                 # Make SIRIUS handle it
-                if "@6:7.4.3" in spec:
+                if "@:7.4.3" in spec:
                     args.append(self.define("CMAKE_CUDA_ARCH", ";".join(cuda_arch)))
                 else:
                     args.append(self.define("CMAKE_CUDA_ARCHITECTURES", ";".join(cuda_arch)))