WarpX: 24.10 (#46763)

* WarpX: 24.10
   This updates WarpX and dependencies for the 24.10 release.
   New features:
   - EB runtime control: we can now compile with EB on by default,
     because it is not an incompatible binary option anymore
   - Catalyst2 support: AMReX/WarpX 24.09+ support Catalyst2 through
     the existing Conduit bindings
* Fix Typo in Variant
   Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
* Improve Python Dep Version Ranges
* Add Missing `-DWarpX_CATALYST`
* AMReX: Missing CMake Options for Vis

---------

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>

var/spack/repos/builtin/packages/amrex/package.py

@@ -120,7 +120,20 @@ class Amrex(CMakePackage, CudaPackage, ROCmPackage):
         description="Real precision (double/single)",
         values=("single", "double"),
     )
-    variant("eb", default=False, description="Build Embedded Boundary classes")
+    variant("ascent", default=False, description="Enable Ascent in situ visualization")
+    variant(
+        "catalyst",
+        default=False,
+        description="Enable Catalyst2 in situ visualization",
+        when="@24.09:",
+    )
+    variant(
+        "conduit",
+        default=False,
+        description="Enable Conduit for data exchange (in situ visualization)",
+    )
+    variant("eb", default=True, description="Build Embedded Boundary classes", when="@24.10:")
+    variant("eb", default=False, description="Build Embedded Boundary classes", when="@:24.09")
     variant("fortran", default=False, description="Build Fortran API")
     variant("linear_solvers", default=True, description="Build linear solvers")
     variant("amrdata", default=False, description="Build data services")
@@ -136,9 +149,20 @@ class Amrex(CMakePackage, CudaPackage, ROCmPackage):
 
     # Build dependencies
     depends_on("mpi", when="+mpi")
-    depends_on("sundials@4.0.0:4.1.0 +ARKODE +CVODE", when="@19.08:20.11 +sundials")
+    with when("+ascent"):
-    depends_on("sundials@5.7.0: +ARKODE +CVODE", when="@21.07:22.04 +sundials")
+        depends_on("ascent")
-    depends_on("sundials@6.0.0: +ARKODE +CVODE", when="@22.05: +sundials")
+        depends_on("ascent +cuda", when="+cuda")
+        depends_on("ascent +mpi", when="+mpi")
+    with when("+conduit"):
+        depends_on("conduit")
+        depends_on("conduit +mpi", when="+mpi")
+    with when("+catalyst"):
+        depends_on("libcatalyst@2.0: +conduit")
+        depends_on("libcatalyst +mpi", when="+mpi")
+    with when("+sundials"):
+        depends_on("sundials@4.0.0:4.1.0 +ARKODE +CVODE", when="@19.08:20.11")
+        depends_on("sundials@5.7.0: +ARKODE +CVODE", when="@21.07:22.04")
+        depends_on("sundials@6.0.0: +ARKODE +CVODE", when="@22.05:")
     for arch in CudaPackage.cuda_arch_values:
         depends_on(
             "sundials@5.7.0: +ARKODE +CVODE +cuda cuda_arch=%s" % arch,
@@ -158,9 +182,10 @@ class Amrex(CMakePackage, CudaPackage, ROCmPackage):
             when="@22.05: +sundials +rocm amdgpu_target=%s" % tgt,
         )
 
-    depends_on("cuda@9.0.0:", when="@:22.04 +cuda")
+    with when("+cuda"):
-    depends_on("cuda@10.0.0:", when="@22.05: +cuda")
+        depends_on("cuda@9.0.0:", when="@:22.04")
-    depends_on("cuda@11.0.0:", when="@22.12: +cuda")
+        depends_on("cuda@10.0.0:", when="@22.05:")
+        depends_on("cuda@11.0.0:", when="@22.12:")
     depends_on("python@2.7:", type="build", when="@:20.04")
     depends_on("cmake@3.5:", type="build", when="@:18.10")
     depends_on("cmake@3.13:", type="build", when="@18.11:19.03")
@@ -175,9 +200,10 @@ class Amrex(CMakePackage, CudaPackage, ROCmPackage):
     depends_on("rocrand", type="build", when="+rocm")
     depends_on("hiprand", type="build", when="+rocm")
     depends_on("rocprim", type="build", when="@21.05: +rocm")
-    depends_on("hypre@2.18.2:", type="link", when="@:21.02 +hypre")
+    with when("+hypre"):
-    depends_on("hypre@2.19.0:", type="link", when="@21.03: ~cuda +hypre")
+        depends_on("hypre@2.18.2:", type="link", when="@:21.02")
-    depends_on("hypre@2.20.0:", type="link", when="@21.03: +cuda +hypre")
+        depends_on("hypre@2.19.0:", type="link", when="@21.03: ~cuda")
+        depends_on("hypre@2.20.0:", type="link", when="@21.03: +cuda")
     depends_on("petsc", type="link", when="+petsc")
     depends_on("intel-oneapi-mkl", type=("build", "link"), when="+sycl")
 
@@ -187,6 +213,14 @@ class Amrex(CMakePackage, CudaPackage, ROCmPackage):
     conflicts("%gcc@8.1.0:8.2.0", when="@21.01:21.02")
 
     # Check options compatibility
+    conflicts(
+        "+ascent", when="~conduit", msg="AMReX Ascent support needs Conduit interfaces (+conduit)"
+    )
+    conflicts(
+        "+catalyst",
+        when="~conduit",
+        msg="AMReX Catalyst2 support needs Conduit interfaces (+conduit)",
+    )
     conflicts(
         "+sundials",
         when="@19.08:20.11 ~fortran",
@@ -274,6 +308,9 @@ def cmake_args(self):
             "-DUSE_XSDK_DEFAULTS=ON",
             self.define_from_variant("AMReX_SPACEDIM", "dimensions"),
             self.define_from_variant("BUILD_SHARED_LIBS", "shared"),
+            self.define_from_variant("AMReX_ASCENT", "ascent"),
+            self.define_from_variant("AMReX_CATALYST", "catalyst"),
+            self.define_from_variant("AMReX_CONDUIT", "conduit"),
             self.define_from_variant("AMReX_MPI", "mpi"),
             self.define_from_variant("AMReX_OMP", "openmp"),
             "-DXSDK_PRECISION:STRING=%s" % self.spec.variants["precision"].value.upper(),

var/spack/repos/builtin/packages/py-amrex/package.py

@@ -11,7 +11,7 @@ class PyAmrex(CMakePackage, PythonExtension, CudaPackage, ROCmPackage):
     """AMReX Python Bindings with pybind11"""
 
     homepage = "https://amrex-codes.github.io/amrex/"
-    url = "https://github.com/AMReX-Codes/pyamrex/archive/refs/tags/24.08.tar.gz"
+    url = "https://github.com/AMReX-Codes/pyamrex/archive/refs/tags/24.10.tar.gz"
     git = "https://github.com/AMReX-Codes/pyamrex.git"
 
     maintainers("ax3l", "RTSandberg", "sayerhs", "WeiqunZhang")
@@ -19,7 +19,12 @@ class PyAmrex(CMakePackage, PythonExtension, CudaPackage, ROCmPackage):
     license("BSD-3-Clause-LBNL")
 
     version("develop", branch="development")
-    version("24.08", sha256="e7179d88261f64744f392a2194ff2744fe323fe0e21d0742ba60458709a1b47e")
+    version("24.10", sha256="dc1752ed3fbd5113dcfdbddcfe6c3c458e572b288ac9d41ed3ed7db130591d74")
+    version(
+        "24.08",
+        sha256="e7179d88261f64744f392a2194ff2744fe323fe0e21d0742ba60458709a1b47e",
+        deprecated=True,
+    )
     version(
         "24.04",
         sha256="ab85695bb9644b702d0fc84e77205d264d27ba94999cab912c8a3212a7eb77fc",
@@ -32,7 +37,7 @@ class PyAmrex(CMakePackage, PythonExtension, CudaPackage, ROCmPackage):
         deprecated=True,
     )
 
-    for v in ["24.08", "24.04", "24.03"]:
+    for v in ["24.10", "24.08", "24.04", "24.03"]:
         depends_on("amrex@{0}".format(v), when="@{0}".format(v), type=("build", "link"))
 
     variant(
@@ -60,10 +65,11 @@ class PyAmrex(CMakePackage, PythonExtension, CudaPackage, ROCmPackage):
 
     depends_on("cxx", type="build")
 
-    depends_on("cmake@3.20:", type="build")
+    depends_on("cmake@3.20:3", type="build", when="@:24.08")
+    depends_on("cmake@3.24:3", type="build", when="@24.09:")
     depends_on("python@3.8:", type=("build", "run"))
     depends_on("py-mpi4py@2.1.0:", type=("build", "run"), when="+mpi")
-    depends_on("py-numpy@1.15.0:1", type=("build", "run"))
+    depends_on("py-numpy@1.15:", type=("build", "run"))
     depends_on("py-packaging@23:", type="build")
     depends_on("py-pip@23:", type="build")
     depends_on("py-setuptools@42:", type="build")

var/spack/repos/builtin/packages/py-picmistandard/package.py

@@ -11,11 +11,12 @@ class PyPicmistandard(PythonPackage):
 
     homepage = "https://picmi-standard.github.io"
     git = "https://github.com/picmi-standard/picmi.git"
-    pypi = "picmistandard/picmistandard-0.29.0.tar.gz"
+    pypi = "picmistandard/picmistandard-0.30.0.tar.gz"
 
     maintainers("ax3l", "dpgrote", "RemiLehe")
 
     version("master", branch="master")
+    version("0.30.0", sha256="28b892b242e0cc044ad987d6bdc12811fe4a478d5096d6bc5989038ee9d9dab6")
     version("0.29.0", sha256="dc0bf3ddd3635df9935ac569b3085de387150c4f8e9851897078bb12d123dde8")
     version("0.28.0", sha256="aa980b0fb49fc3ff9c7e32b5927b3700c4660aefbf96567bac1f8c9c93bb7831")
     version("0.26.0", sha256="b22689f576d064bf0cd8f435621e912359fc2ee9347350eab845d2d36ebb62eb")
@@ -49,14 +50,7 @@ class PyPicmistandard(PythonPackage):
         deprecated=True,
     )
 
-    depends_on("python@3.6:", type=("build", "run"))
+    depends_on("python@3.8:", type=("build", "run"))
-    depends_on("py-numpy@1.15:", type=("build", "run"))
+    depends_on("py-numpy@1.15:1", type=("build", "run"))
-    depends_on("py-scipy@1.5:", type=("build", "run"))
+    depends_on("py-scipy@1.5:1", type=("build", "run"))
     depends_on("py-setuptools", type="build")
-
-    @property
-    def build_directory(self):
-        if self.spec.satisfies("@develop") or self.spec.satisfies("@0.0.16"):
-            return "PICMI_Python"
-        else:
-            return "./"

var/spack/repos/builtin/packages/warpx/package.py

@@ -16,7 +16,7 @@ class Warpx(CMakePackage, PythonExtension):
     """
 
     homepage = "https://ecp-warpx.github.io"
-    url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/24.08.tar.gz"
+    url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/24.10.tar.gz"
     git = "https://github.com/ECP-WarpX/WarpX.git"
 
     maintainers("ax3l", "dpgrote", "EZoni", "RemiLehe")
@@ -26,7 +26,12 @@ class Warpx(CMakePackage, PythonExtension):
 
     # NOTE: if you update the versions here, also see py-warpx
     version("develop", branch="development")
-    version("24.08", sha256="8da1f2967f613a65a295260260aa4f081ac1d1b7c1d6987d294e02b86099df08")
+    version("24.10", sha256="1fe3a86bf820a2ecef853cdcd9427fba4e0cb1efb05326da7dc9dbf94551202f")
+    version(
+        "24.08",
+        sha256="8da1f2967f613a65a295260260aa4f081ac1d1b7c1d6987d294e02b86099df08",
+        deprecated=True,
+    )
     version(
         "23.08",
         sha256="67695ff04b83d1823ea621c19488e54ebaf268532b0e5eb4ea8ad293d7ab3ddc",
@@ -177,6 +182,12 @@ class Warpx(CMakePackage, PythonExtension):
 
     variant("app", default=True, description="Build the WarpX executable application")
     variant("ascent", default=False, description="Enable Ascent in situ visualization")
+    variant(
+        "catalyst",
+        default=False,
+        description="Enable Catalyst2 in situ visualization",
+        when="@24.09:",
+    )
     variant("sensei", default=False, description="Enable SENSEI in situ visualization")
     variant(
         "compute",
@@ -201,7 +212,8 @@ class Warpx(CMakePackage, PythonExtension):
         description="Number of spatial dimensions",
         when="@23.06:",
     )
-    variant("eb", default=False, description="Embedded boundary support (in development)")
+    variant("eb", default=True, description="Embedded boundary support", when="@24.10:")
+    variant("eb", default=False, description="Embedded boundary support", when="@:24.09")
     # Spack defaults to False but pybind11 defaults to True (and IPO is highly
     # encouraged to be used)
     variant(
@@ -233,7 +245,7 @@ class Warpx(CMakePackage, PythonExtension):
 
     depends_on("cxx", type="build")
 
-    for v in ["24.08", "develop"]:
+    for v in ["24.10", "24.08", "develop"]:
         depends_on(
             f"amrex@{v} build_system=cmake +linear_solvers +pic +particles +shared +tiny_profile",
             when=f"@{v}",
@@ -241,13 +253,20 @@ class Warpx(CMakePackage, PythonExtension):
         )
         depends_on("py-amrex@{0}".format(v), when="@{0} +python".format(v), type=("build", "run"))
 
-    depends_on("ascent", when="+ascent")
-    depends_on("ascent +cuda", when="+ascent compute=cuda")
-    depends_on("ascent +mpi", when="+ascent +mpi")
     depends_on("boost@1.66.0: +math", when="+qedtablegen")
     depends_on("cmake@3.15.0:", type="build")
     depends_on("cmake@3.18.0:", type="build", when="@22.01:")
     depends_on("cmake@3.20.0:", type="build", when="@22.08:")
+    depends_on("cmake@3.24.0:", type="build", when="@24.09:")
+    with when("+ascent"):
+        depends_on("ascent", when="+ascent")
+        depends_on("ascent +cuda", when="+ascent compute=cuda")
+        depends_on("ascent +mpi", when="+ascent +mpi")
+        depends_on("amrex +ascent +conduit")
+    with when("+catalyst"):
+        depends_on("libcatalyst@2.0: +conduit")
+        depends_on("libcatalyst +mpi", when="+mpi")
+        depends_on("amrex +catalyst +conduit")
     with when("dims=1"):
         depends_on("amrex dimensions=1")
     with when("dims=2"):
@@ -314,7 +333,8 @@ class Warpx(CMakePackage, PythonExtension):
         depends_on("py-mpi4py@2.1.0:", type=("build", "run"), when="+mpi")
         depends_on("py-periodictable@1.5:1", type=("build", "run"))
         depends_on("py-picmistandard@0.28.0", type=("build", "run"), when="@23.11:24.07")
-        depends_on("py-picmistandard@0.29.0", type=("build", "run"), when="@24.08:")
+        depends_on("py-picmistandard@0.29.0", type=("build", "run"), when="@24.08")
+        depends_on("py-picmistandard@0.30.0", type=("build", "run"), when="@24.09:")
         depends_on("py-pip@23:", type="build")
         depends_on("py-setuptools@42:", type="build")
         depends_on("py-pybind11@2.12.0:", type=("build", "link"))
@@ -373,6 +393,7 @@ def cmake_args(self):
             # variants
             self.define_from_variant("WarpX_APP", "app"),
             self.define_from_variant("WarpX_ASCENT", "ascent"),
+            self.define_from_variant("WarpX_CATALYST", "catalyst"),
             self.define_from_variant("WarpX_SENSEI", "sensei"),
             "-DWarpX_COMPUTE={0}".format(spec.variants["compute"].value.upper()),
             "-DWarpX_DIMS={0}".format(";".join(spec.variants["dims"].value).upper()),
@@ -466,9 +487,17 @@ def _get_input_options(self, dim, post_install):
             install_test_root(self) if post_install else self.stage.source_path,
             self.examples_src_dir,
         )
-        inputs_nD = {"1": "inputs_1d", "2": "inputs_2d", "3": "inputs_3d", "rz": "inputs_rz"}
+        if spec.satisfies("@:24.09"):
-        if spec.satisfies("@:21.12"):
+            inputs_nD = {"1": "inputs_1d", "2": "inputs_2d", "3": "inputs_3d", "rz": "inputs_rz"}
-            inputs_nD["rz"] = "inputs_2d_rz"
+            if spec.satisfies("@:21.12"):
+                inputs_nD["rz"] = "inputs_2d_rz"
+        else:
+            inputs_nD = {
+                "1": "inputs_test_1d_laser_acceleration",
+                "2": "inputs_base_2d",
+                "3": "inputs_base_3d",
+                "rz": "inputs_base_rz",
+            }
         inputs = join_path(examples_dir, inputs_nD[dim])
 
         cli_args = [inputs, "max_step=50", "diag1.intervals=10"]