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authorAxel Huebl <axel.huebl@plasma.ninja>2024-08-18 21:14:04 -0700
committerGitHub <noreply@github.com>2024-08-18 21:14:04 -0700
commitc1852e3706eeac32429ae7852dfef0704c3a8afd (patch)
tree75fb48278016e451b6e14a43357042d436adf1fd
parent855a8476e417b7ef10b0541e7095f96e4b92c4c2 (diff)
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WarpX: Python on pyAMReX (#45251)
* WarpX: Python on pyAMReX Long overdue update for WarpX: in 2024, we updated our Python bindings to rely on the new pyAMReX package. This deprecates the old `py-warpx` package and adds a new dependency and variant to WarpX. Also deprecates old versions that we will not continue to support. * Update Cloud/E4S Pipelines for WarpX `py-warpx` is replaced by `warpx +python` oneAPI does not support IPO/LTO: diable for `py-amrex` even though pybind11 strongly encourages it.
-rw-r--r--share/spack/gitlab/cloud_pipelines/configs/linux/ci.yaml2
-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml2
-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-sles/spack.yaml2
-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml2
-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml2
-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml6
-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml2
-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml2
-rw-r--r--var/spack/repos/builtin/packages/py-amrex/package.py97
-rw-r--r--var/spack/repos/builtin/packages/py-picmistandard/package.py38
-rw-r--r--var/spack/repos/builtin/packages/py-pybind11/package.py4
-rw-r--r--var/spack/repos/builtin/packages/py-warpx/package.py128
-rw-r--r--var/spack/repos/builtin/packages/warpx/package.py309
13 files changed, 474 insertions, 122 deletions
diff --git a/share/spack/gitlab/cloud_pipelines/configs/linux/ci.yaml b/share/spack/gitlab/cloud_pipelines/configs/linux/ci.yaml
index 923e9a400d..b6e41a9af0 100644
--- a/share/spack/gitlab/cloud_pipelines/configs/linux/ci.yaml
+++ b/share/spack/gitlab/cloud_pipelines/configs/linux/ci.yaml
@@ -258,7 +258,6 @@ ci:
- py-scipy
- py-statsmodels
- py-warlock
- - py-warpx
- raja
- slepc
- slurm
@@ -272,6 +271,7 @@ ci:
- vtk
- vtk-h
- vtk-m
+ - warpx +python
- zfp
build-job:
tags: [ "spack", "medium" ]
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml
index 37834d60f6..1f4e526dca 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml
@@ -169,13 +169,13 @@ spack:
# - phist # fortran_bindings/CMakeFiles/phist_fort.dir/phist_testing.F90.o: ftn-78 ftn: ERROR in command line. The -f option has an invalid argument, "no-math-errno".
# - plasma # %cce conflict
# - py-jupyterhub # rust: ld.lld: error: relocation R_X86_64_32 cannot be used against local symbol; recompile with -fPIC'; defined in /opt/cray/pe/cce/15.0.1/cce/x86_64/lib/no_mmap.o, referenced by /opt/cray/pe/cce/15.0.1/cce/x86_64/lib/no_mmap.o:(__no_mmap_for_malloc)
- # - py-warpx # py-scipy: meson.build:82:0: ERROR: Unknown compiler(s): [['/home/gitlab-runner-3/builds/dWfnZWPh/0/spack/spack/lib/spack/env/cce/ftn']]
# - quantum-espresso # quantum-espresso: CMake Error at cmake/FindSCALAPACK.cmake:503 (message): A required library with SCALAPACK API not found. Please specify library
# - scr # scr: make[2]: *** [examples/CMakeFiles/test_ckpt_F.dir/build.make:112: examples/test_ckpt_F] Error 1: /opt/cray/pe/cce/15.0.1/binutils/x86_64/x86_64-pc-linux-gnu/bin/ld: /opt/cray/pe/mpich/8.1.25/ofi/cray/10.0/lib/libmpi_cray.so: undefined reference to `PMI_Barrier'
# - strumpack ~slate # strumpack: [test/CMakeFiles/test_HSS_seq.dir/build.make:117: test/test_HSS_seq] Error 1: ld.lld: error: undefined reference due to --no-allow-shlib-undefined: mpi_abort_
# - upcxx # upcxx: configure error: User requested --enable-ofi but I don't know how to build ofi programs for your system
# - variorum # variorum: /opt/cray/pe/cce/15.0.1/binutils/x86_64/x86_64-pc-linux-gnu/bin/ld: /opt/cray/pe/lib64/libpals.so.0: undefined reference to `json_array_append_new@@libjansson.so.4'
# - xyce +mpi +shared +pymi +pymi_static_tpls ^trilinos~shylu # openblas: ftn-2307 ftn: ERROR in command line: The "-m" option must be followed by 0, 1, 2, 3 or 4.; make[2]: *** [<builtin>: spotrf2.o] Error 1; make[1]: *** [Makefile:27: lapacklib] Error 2; make: *** [Makefile:250: netlib] Error 2
+ # - warpx +python # py-scipy: meson.build:82:0: ERROR: Unknown compiler(s): [['/home/gitlab-runner-3/builds/dWfnZWPh/0/spack/spack/lib/spack/env/cce/ftn']]
cdash:
build-group: E4S Cray
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-sles/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-sles/spack.yaml
index 376ad7d086..d7ca80212a 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-sles/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-sles/spack.yaml
@@ -163,13 +163,13 @@ spack:
# - phist
# - plasma
# - py-jupyterhub
- # - py-warpx
# - quantum-espresso
# - scr
# - strumpack ~slate
# - upcxx
# - variorum
# - xyce +mpi +shared +pymi +pymi_static_tpls ^trilinos~shylu
+ # - warpx +python
cdash:
build-group: E4S Cray SLES
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml
index c0074bdd80..a0b5cec5b6 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml
@@ -133,7 +133,6 @@ spack:
- py-jupyterhub
- py-libensemble
- py-petsc4py
- - py-warpx
- qthreads scheduler=distrib
- quantum-espresso
- raja
@@ -157,6 +156,7 @@ spack:
- upcxx
# - veloc
- wannier90
+ - warpx +python
- xyce +mpi +shared +pymi +pymi_static_tpls
# INCLUDED IN ECP DAV CPU
# - adios2
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml
index 7e9b7ae11b..0b5de6cf16 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml
@@ -134,7 +134,6 @@ spack:
- py-jupyterhub
- py-libensemble
- py-petsc4py
- - py-warpx
- qthreads scheduler=distrib
- quantum-espresso
- raja
@@ -157,6 +156,7 @@ spack:
- umpire
- upcxx
- wannier90
+ - warpx +python
- wps
- wrf
- xyce +mpi +shared +pymi +pymi_static_tpls
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml
index 8f164ac7f1..991fa00212 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml
@@ -143,12 +143,11 @@ spack:
- precice
- pruners-ninja
- pumi
- - py-amrex
+ - py-amrex ~ipo # oneAPI 2024.2.0 builds do not support IPO/LTO says CMake, even though pybind11 strongly encourages it
- py-h5py
- py-jupyterhub
- py-libensemble
- py-petsc4py
- - py-warpx
- qthreads scheduler=distrib
- raja
- rempi
@@ -189,6 +188,7 @@ spack:
- veloc
# - visit # visit: +visit: visit_vtk/lightweight/vtkSkewLookupTable.C:32:10: error: cannot initialize return object of type 'unsigned char *' with an rvalue of type 'const unsigned char *'
- vtk-m ~openmp
+ - warpx +python ~python_ipo ^py-amrex ~ipo # oneAPI 2024.2.0 builds do not support IPO/LTO says CMake, even though pybind11 strongly encourages it
- zfp
# --
# - chapel ~cuda ~rocm # llvm: closures.c:(.text+0x305e): undefined reference to `_intel_fast_memset'
@@ -234,10 +234,10 @@ spack:
- sundials +sycl cxxstd=17 +examples-install
- tau +mpi +opencl +level_zero ~pdt +syscall # requires libdrm.so to be installed
- upcxx +level_zero
+ - warpx ~qed +python ~python_ipo compute=sycl ^py-amrex ~ipo # qed for https://github.com/ECP-WarpX/picsar/pull/53 prior to 24.09 release; ~ipo for oneAPI 2024.2.0 GPU builds do not support IPO/LTO says CMake, even though pybind11 strongly encourages it
# --
# - hpctoolkit +level_zero # dyninst@12.3.0%gcc: /usr/bin/ld: libiberty/./d-demangle.c:142: undefined reference to `_intel_fast_memcpy'; can't mix intel-tbb@%oneapi with dyninst%gcc
# - slate +sycl # slate: ifx: error #10426: option '-fopenmp-targets' requires '-fiopenmp'
- # - warpx compute=sycl # warpx: fetchedamrex-src/Src/Base/AMReX_RandomEngine.H:18:10: fatal error: 'oneapi/mkl/rng/device.hpp' file not found
ci:
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml
index ea6682d204..9cc3f8cc8f 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml
@@ -137,7 +137,6 @@ spack:
- py-jupyterhub
- py-libensemble
- py-petsc4py
- - py-warpx
- qthreads scheduler=distrib
- quantum-espresso
- raja
@@ -160,6 +159,7 @@ spack:
- umpire
- upcxx
- wannier90
+ - warpx +python
- wps
- wrf
- xyce +mpi +shared +pymi +pymi_static_tpls
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
index 712b9872d0..d6ecfe74f9 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
@@ -147,7 +147,6 @@ spack:
- py-jupyterhub
- py-libensemble
- py-petsc4py
- - py-warpx
- qthreads scheduler=distrib
- quantum-espresso
- raja
@@ -190,6 +189,7 @@ spack:
- veloc
- visit # silo: https://github.com/spack/spack/issues/39538
- vtk-m
+ - warpx +python
- zfp
# --
# - geopm # geopm: https://github.com/spack/spack/issues/38795
diff --git a/var/spack/repos/builtin/packages/py-amrex/package.py b/var/spack/repos/builtin/packages/py-amrex/package.py
index aa3e6d87c5..0aed567373 100644
--- a/var/spack/repos/builtin/packages/py-amrex/package.py
+++ b/var/spack/repos/builtin/packages/py-amrex/package.py
@@ -3,14 +3,15 @@
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+from spack.build_systems.python import PythonPipBuilder
from spack.package import *
-class PyAmrex(PythonPackage, CudaPackage, ROCmPackage):
+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/24.04.tar.gz"
+ url = "https://github.com/AMReX-Codes/pyamrex/archive/refs/tags/24.08.tar.gz"
git = "https://github.com/AMReX-Codes/pyamrex.git"
maintainers("ax3l", "RTSandberg", "sayerhs", "WeiqunZhang")
@@ -18,12 +19,20 @@ class PyAmrex(PythonPackage, CudaPackage, ROCmPackage):
license("BSD-3-Clause-LBNL")
version("develop", branch="development")
- version("24.04", sha256="ab85695bb9644b702d0fc84e77205d264d27ba94999cab912c8a3212a7eb77fc")
- version("24.03", sha256="bf85b4ad35b623278cbaae2c07e22138545dec0732d15c4ab7c53be76a7f2315")
+ version("24.08", sha256="e7179d88261f64744f392a2194ff2744fe323fe0e21d0742ba60458709a1b47e")
+ version(
+ "24.04",
+ sha256="ab85695bb9644b702d0fc84e77205d264d27ba94999cab912c8a3212a7eb77fc",
+ deprecated=True,
+ )
- depends_on("cxx", type="build") # generated
+ version(
+ "24.03",
+ sha256="bf85b4ad35b623278cbaae2c07e22138545dec0732d15c4ab7c53be76a7f2315",
+ deprecated=True,
+ )
- for v in ["24.04", "24.03"]:
+ for v in ["24.08", "24.04", "24.03"]:
depends_on("amrex@{0}".format(v), when="@{0}".format(v), type=("build", "link"))
variant(
@@ -33,6 +42,9 @@ class PyAmrex(PythonPackage, CudaPackage, ROCmPackage):
multi=True,
description="Dimensionality",
)
+ # Spack defaults to False but pybind11 defaults to True (and IPO is highly
+ # encouraged to be used with pybind11 projects)
+ variant("ipo", default=True, description="CMake interprocedural optimization")
variant("mpi", default=True, description="Build with MPI support")
variant("openmp", default=False, description="Build with OpenMP support")
variant(
@@ -42,14 +54,21 @@ class PyAmrex(PythonPackage, CudaPackage, ROCmPackage):
values=("single", "double"),
)
variant("tiny_profile", default=False, description="Enable tiny profiling")
+ variant("sycl", default=False, description="Enable SYCL backend")
+
+ extends("python")
+ depends_on("cxx", type="build")
+
+ depends_on("cmake@3.20:", type="build")
depends_on("python@3.8:", type=("build", "run"))
- depends_on("py-numpy@1.15.0:1", 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-packaging@23:", type="build")
+ depends_on("py-pip@23:", type="build")
depends_on("py-setuptools@42:", type="build")
- depends_on("cmake@3.20:3", type="build")
- depends_on("py-pybind11@2.11.1:", type="link")
+ depends_on("py-pybind11@2.12.0:", type=("build", "link"))
+ depends_on("py-wheel@0.40:", type="build")
# AMReX options
# required variants
@@ -63,53 +82,65 @@ class PyAmrex(PythonPackage, CudaPackage, ROCmPackage):
depends_on("amrex dimensions=3")
with when("+mpi"):
depends_on("amrex +mpi")
+ with when("~mpi"):
+ depends_on("amrex ~mpi")
with when("+openmp"):
depends_on("amrex +openmp")
+ with when("~openmp"):
+ depends_on("amrex ~openmp")
with when("+tiny_profile"):
depends_on("amrex +tiny_profile")
with when("+cuda"):
depends_on("amrex +cuda")
# todo: how to forward cuda_arch?
+ with when("~cuda"):
+ depends_on("amrex ~cuda")
with when("+rocm"):
depends_on("amrex +rocm")
# todo: how to forward amdgpu_target?
+ with when("~rocm"):
+ depends_on("amrex ~rocm")
+ with when("+sycl"):
+ depends_on("amrex +sycl")
+ with when("~sycl"):
+ depends_on("amrex ~sycl")
depends_on("py-pytest", type="test")
depends_on("py-pandas", type="test")
depends_on("py-cupy", type="test", when="+cuda")
+ phases = ("cmake", "build", "install", "pip_install_nodeps")
+ build_targets = ["all", "pip_wheel"]
+
tests_src_dir = "tests/"
- def setup_build_environment(self, env):
- spec = self.spec
-
- # disable superbuilds: use external dependencies
- env.set("AMREX_INTERNAL", "OFF")
- env.set("PYAMREX_CCACHE", "OFF")
- env.set("PYAMREX_IPO", "ON")
- env.set("PYBIND11_INTERNAL", "OFF")
-
- # configure to require the exact AMReX configs provided by Spack
- env.set("AMREX_SPACEDIM", ";".join(spec.variants["dimensions"].value))
- env.set("AMREX_MPI", "ON" if spec.satisfies("+mpi") else "OFF")
- env.set("AMREX_OMP", "ON" if spec.satisfies("+omp") else "OFF")
- env.set("AMREX_PRECISION", spec.variants["precision"].value.upper())
- with when("+cuda"):
- env.set("AMREX_GPU_BACKEND", "CUDA")
- with when("+rocm"):
- env.set("AMREX_GPU_BACKEND", "HIP")
- # with when("+sycl"):
- # env.set("AMREX_GPU_BACKEND", "SYCL")
-
- # control build parallelism
- env.set("CMAKE_BUILD_PARALLEL_LEVEL", make_jobs)
+ def cmake_args(self):
+ args = ["-DpyAMReX_amrex_internal=OFF", "-DpyAMReX_pybind11_internal=OFF"]
+ return args
+
+ def pip_install_nodeps(self, spec, prefix):
+ """Install everything from build directory."""
+ pip = spec["python"].command
+ pip.add_default_arg("-m", "pip")
+
+ args = PythonPipBuilder.std_args(self) + [
+ f"--prefix={prefix}",
+ "--find-links=amrex-whl",
+ "amrex",
+ ]
+
+ with working_dir(self.build_directory):
+ pip(*args)
+
+ # todo: from PythonPipBuilder
+ # ....execute_install_time_tests()
def check(self):
"""Checks after the build phase"""
pytest = which("pytest")
pytest(join_path(self.stage.source_path, self.tests_src_dir))
- @run_after("install")
+ @run_after("pip_install_nodeps")
def copy_test_sources(self):
"""Copy the example test files after the package is installed to an
install test subdirectory for use during `spack test run`."""
diff --git a/var/spack/repos/builtin/packages/py-picmistandard/package.py b/var/spack/repos/builtin/packages/py-picmistandard/package.py
index bdcf00d81c..fd0998176f 100644
--- a/var/spack/repos/builtin/packages/py-picmistandard/package.py
+++ b/var/spack/repos/builtin/packages/py-picmistandard/package.py
@@ -11,25 +11,47 @@ class PyPicmistandard(PythonPackage):
homepage = "https://picmi-standard.github.io"
git = "https://github.com/picmi-standard/picmi.git"
- pypi = "picmistandard/picmistandard-0.26.0.tar.gz"
+ pypi = "picmistandard/picmistandard-0.29.0.tar.gz"
maintainers("ax3l", "dpgrote", "RemiLehe")
version("master", branch="master")
+ version("0.29.0", sha256="dc0bf3ddd3635df9935ac569b3085de387150c4f8e9851897078bb12d123dde8")
+ version("0.28.0", sha256="aa980b0fb49fc3ff9c7e32b5927b3700c4660aefbf96567bac1f8c9c93bb7831")
version("0.26.0", sha256="b22689f576d064bf0cd8f435621e912359fc2ee9347350eab845d2d36ebb62eb")
version("0.25.0", sha256="3fe6a524822d382e52bfc9d3378249546075d28620969954c5ffb43e7968fb02")
version("0.24.0", sha256="55a82adcc14b41eb612caf0d9e47b0e2a56ffc196a58b41fa0cc395c6924be9a")
version("0.23.2", sha256="2853fcfaf2f226a88bb6063ae564832b7e69965294fd652cd2ac04756fa4599a")
version("0.23.1", sha256="c7375010b7a3431b519bc0accf097f2aafdb520e2a0126f42895cb96dcc7dcf1")
- version("0.0.22", sha256="e234a431274254b22cd70be64d6555b383d98426b2763ea0c174cf77bf4d0890")
- version("0.0.21", sha256="930056a23ed92dac7930198f115b6248606b57403bffebce3d84579657c8d10b")
- version("0.0.20", sha256="9c1822eaa2e4dd543b5afcfa97940516267dda3890695a6cf9c29565a41e2905")
- version("0.0.19", sha256="4b7ba1330964fbfd515e8ea2219966957c1386e0896b92d36bd9e134afb02f5a")
- version("0.0.18", sha256="68c208c0c54b4786e133bb13eef0dd4824998da4906285987ddee84e6d195e71")
+ version(
+ "0.0.22",
+ sha256="e234a431274254b22cd70be64d6555b383d98426b2763ea0c174cf77bf4d0890",
+ deprecated=True,
+ )
+ version(
+ "0.0.21",
+ sha256="930056a23ed92dac7930198f115b6248606b57403bffebce3d84579657c8d10b",
+ deprecated=True,
+ )
+ version(
+ "0.0.20",
+ sha256="9c1822eaa2e4dd543b5afcfa97940516267dda3890695a6cf9c29565a41e2905",
+ deprecated=True,
+ )
+ version(
+ "0.0.19",
+ sha256="4b7ba1330964fbfd515e8ea2219966957c1386e0896b92d36bd9e134afb02f5a",
+ deprecated=True,
+ )
+ version(
+ "0.0.18",
+ sha256="68c208c0c54b4786e133bb13eef0dd4824998da4906285987ddee84e6d195e71",
+ deprecated=True,
+ )
depends_on("python@3.6:", type=("build", "run"))
- depends_on("py-numpy@1.15:1", type=("build", "run"))
- depends_on("py-scipy@1.5:1", type=("build", "run"))
+ depends_on("py-numpy@1.15:", type=("build", "run"))
+ depends_on("py-scipy@1.5:", type=("build", "run"))
depends_on("py-setuptools", type="build")
@property
diff --git a/var/spack/repos/builtin/packages/py-pybind11/package.py b/var/spack/repos/builtin/packages/py-pybind11/package.py
index 46db4dc9d1..887f2b8d31 100644
--- a/var/spack/repos/builtin/packages/py-pybind11/package.py
+++ b/var/spack/repos/builtin/packages/py-pybind11/package.py
@@ -61,6 +61,10 @@ class PyPybind11(CMakePackage, PythonExtension):
depends_on("py-wheel", type="build")
extends("python")
+ # Spack defaults to False but pybind11 defaults to True (and IPO is highly
+ # encouraged to be used)
+ variant("ipo", default=True, description="CMake interprocedural optimization")
+
with when("build_system=cmake"):
generator("ninja")
depends_on("cmake@3.13:", type="build")
diff --git a/var/spack/repos/builtin/packages/py-warpx/package.py b/var/spack/repos/builtin/packages/py-warpx/package.py
index beea6bdce7..6119ba4e81 100644
--- a/var/spack/repos/builtin/packages/py-warpx/package.py
+++ b/var/spack/repos/builtin/packages/py-warpx/package.py
@@ -7,7 +7,9 @@ from spack.package import *
class PyWarpx(PythonPackage):
- """WarpX is an advanced electromagnetic Particle-In-Cell code. It supports
+ """This package is deprecated. Please use `warpx +python`.
+
+ WarpX is an advanced electromagnetic Particle-In-Cell code. It supports
many features including Perfectly-Matched Layers (PML) and mesh refinement.
In addition, WarpX is a highly-parallel and highly-optimized code and
features hybrid OpenMP/MPI parallelization, advanced vectorization
@@ -21,34 +23,114 @@ class PyWarpx(PythonPackage):
url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.08.tar.gz"
git = "https://github.com/ECP-WarpX/WarpX.git"
- maintainers("ax3l", "dpgrote", "RemiLehe")
+ maintainers("ax3l", "dpgrote", "EZoni", "RemiLehe")
tags = ["e4s", "ecp"]
license("BSD-3-Clause-LBNL")
# NOTE: if you update the versions here, also see warpx
- version("develop", branch="development")
- version("23.08", sha256="67695ff04b83d1823ea621c19488e54ebaf268532b0e5eb4ea8ad293d7ab3ddc")
- version("23.07", sha256="511633f94c0d0205013609bde5bbf92a29c2e69f6e69b461b80d09dc25602945")
- version("23.06", sha256="75fcac949220c44dce04de581860c9a2caa31a0eee8aa7d49455fa5fc928514b")
- version("23.05", sha256="34306a98fdb1f5f44ab4fb92f35966bfccdcf1680a722aa773af2b59a3060d73")
- version("23.04", sha256="e5b285c73e13a0d922eba5d83760c168d4fd388e54a519830003b2e692dab823")
- version("23.03", sha256="e1274aaa2a2c83d599d61c6e4c426db4ed5d4c5dc61a2002715783a6c4843718")
- version("23.02", sha256="a6c63ebc38cbd224422259a814be501ac79a3b734dab7f59500b6957cddaaac1")
- version("23.01", sha256="e853d01c20ea00c8ddedfa82a31a11d9d91a7f418d37d7f064cf8a241ea4da0c")
- version("22.12", sha256="96019902cd6ea444a1ae515e8853048e9074822c168021e4ec1687adc72ef062")
- version("22.11", sha256="528f65958f2f9e60a094e54eede698e871ccefc89fa103fe2a6f22e4a059515e")
- version("22.10", sha256="3cbbbbb4d79f806b15e81c3d0e4a4401d1d03d925154682a3060efebd3b6ca3e")
- version("22.09", sha256="dbef1318248c86c860cc47f7e18bbb0397818e3acdfb459e48075004bdaedea3")
- version("22.08", sha256="5ff7fd628e8bf615c1107e6c51bc55926f3ef2a076985444b889d292fecf56d4")
- version("22.07", sha256="0286adc788136cb78033cb1678d38d36e42265bcfd3d0c361a9bcc2cfcdf241b")
- version("22.06", sha256="e78398e215d3fc6bc5984f5d1c2ddeac290dcbc8a8e9d196e828ef6299187db9")
- version("22.05", sha256="2fa69e6a4db36459b67bf663e8fbf56191f6c8c25dc76301dbd02a36f9b50479")
- version("22.04", sha256="9234d12e28b323cb250d3d2cefee0b36246bd8a1d1eb48e386f41977251c028f")
- version("22.03", sha256="ddbef760c8000f2f827dfb097ca3359e7aecbea8766bec5c3a91ee28d3641564")
- version("22.02", sha256="d74b593d6f396e037970c5fbe10c2e5d71d557a99c97d40e4255226bc6c26e42")
- version("22.01", sha256="e465ffadabb7dc360c63c4d3862dc08082b5b0e77923d3fb05570408748b0d28")
+ version("develop", branch="development", deprecated=True)
+ version(
+ "23.08",
+ sha256="67695ff04b83d1823ea621c19488e54ebaf268532b0e5eb4ea8ad293d7ab3ddc",
+ deprecated=True,
+ )
+ version(
+ "23.07",
+ sha256="511633f94c0d0205013609bde5bbf92a29c2e69f6e69b461b80d09dc25602945",
+ deprecated=True,
+ )
+ version(
+ "23.06",
+ sha256="75fcac949220c44dce04de581860c9a2caa31a0eee8aa7d49455fa5fc928514b",
+ deprecated=True,
+ )
+ version(
+ "23.05",
+ sha256="34306a98fdb1f5f44ab4fb92f35966bfccdcf1680a722aa773af2b59a3060d73",
+ deprecated=True,
+ )
+ version(
+ "23.04",
+ sha256="e5b285c73e13a0d922eba5d83760c168d4fd388e54a519830003b2e692dab823",
+ deprecated=True,
+ )
+ version(
+ "23.03",
+ sha256="e1274aaa2a2c83d599d61c6e4c426db4ed5d4c5dc61a2002715783a6c4843718",
+ deprecated=True,
+ )
+ version(
+ "23.02",
+ sha256="a6c63ebc38cbd224422259a814be501ac79a3b734dab7f59500b6957cddaaac1",
+ deprecated=True,
+ )
+ version(
+ "23.01",
+ sha256="e853d01c20ea00c8ddedfa82a31a11d9d91a7f418d37d7f064cf8a241ea4da0c",
+ deprecated=True,
+ )
+ version(
+ "22.12",
+ sha256="96019902cd6ea444a1ae515e8853048e9074822c168021e4ec1687adc72ef062",
+ deprecated=True,
+ )
+ version(
+ "22.11",
+ sha256="528f65958f2f9e60a094e54eede698e871ccefc89fa103fe2a6f22e4a059515e",
+ deprecated=True,
+ )
+ version(
+ "22.10",
+ sha256="3cbbbbb4d79f806b15e81c3d0e4a4401d1d03d925154682a3060efebd3b6ca3e",
+ deprecated=True,
+ )
+ version(
+ "22.09",
+ sha256="dbef1318248c86c860cc47f7e18bbb0397818e3acdfb459e48075004bdaedea3",
+ deprecated=True,
+ )
+ version(
+ "22.08",
+ sha256="5ff7fd628e8bf615c1107e6c51bc55926f3ef2a076985444b889d292fecf56d4",
+ deprecated=True,
+ )
+ version(
+ "22.07",
+ sha256="0286adc788136cb78033cb1678d38d36e42265bcfd3d0c361a9bcc2cfcdf241b",
+ deprecated=True,
+ )
+ version(
+ "22.06",
+ sha256="e78398e215d3fc6bc5984f5d1c2ddeac290dcbc8a8e9d196e828ef6299187db9",
+ deprecated=True,
+ )
+ version(
+ "22.05",
+ sha256="2fa69e6a4db36459b67bf663e8fbf56191f6c8c25dc76301dbd02a36f9b50479",
+ deprecated=True,
+ )
+ version(
+ "22.04",
+ sha256="9234d12e28b323cb250d3d2cefee0b36246bd8a1d1eb48e386f41977251c028f",
+ deprecated=True,
+ )
+ version(
+ "22.03",
+ sha256="ddbef760c8000f2f827dfb097ca3359e7aecbea8766bec5c3a91ee28d3641564",
+ deprecated=True,
+ )
+ version(
+ "22.02",
+ sha256="d74b593d6f396e037970c5fbe10c2e5d71d557a99c97d40e4255226bc6c26e42",
+ deprecated=True,
+ )
+ version(
+ "22.01",
+ sha256="e465ffadabb7dc360c63c4d3862dc08082b5b0e77923d3fb05570408748b0d28",
+ deprecated=True,
+ )
depends_on("cxx", type="build") # generated
diff --git a/var/spack/repos/builtin/packages/warpx/package.py b/var/spack/repos/builtin/packages/warpx/package.py
index fb7d66384f..5b13827d25 100644
--- a/var/spack/repos/builtin/packages/warpx/package.py
+++ b/var/spack/repos/builtin/packages/warpx/package.py
@@ -3,62 +3,176 @@
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+from spack.build_systems.python import PythonPipBuilder
from spack.package import *
-class Warpx(CMakePackage):
+class Warpx(CMakePackage, PythonExtension):
"""WarpX is an advanced electromagnetic Particle-In-Cell code. It supports
many features including Perfectly-Matched Layers (PML) and mesh refinement.
- In addition, WarpX is a highly-parallel and highly-optimized code and
- features hybrid OpenMP/MPI parallelization, advanced vectorization
- techniques and load balancing capabilities.
- For WarpX' Python bindings and PICMI input support, see the 'py-warpx' package.
+ In addition, WarpX is a highly-parallel and highly-optimized code and
+ features hybrid GPU/OpenMP/MPI parallelization and load balancing capabilities.
"""
homepage = "https://ecp-warpx.github.io"
- url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.08.tar.gz"
+ url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/24.08.tar.gz"
git = "https://github.com/ECP-WarpX/WarpX.git"
- maintainers("ax3l", "dpgrote", "MaxThevenet", "RemiLehe")
+ maintainers("ax3l", "dpgrote", "EZoni", "RemiLehe")
tags = ["e4s", "ecp"]
license("BSD-3-Clause-LBNL")
# NOTE: if you update the versions here, also see py-warpx
version("develop", branch="development")
- version("23.08", sha256="67695ff04b83d1823ea621c19488e54ebaf268532b0e5eb4ea8ad293d7ab3ddc")
- version("23.07", sha256="511633f94c0d0205013609bde5bbf92a29c2e69f6e69b461b80d09dc25602945")
- version("23.06", sha256="75fcac949220c44dce04de581860c9a2caa31a0eee8aa7d49455fa5fc928514b")
- version("23.05", sha256="34306a98fdb1f5f44ab4fb92f35966bfccdcf1680a722aa773af2b59a3060d73")
- version("23.04", sha256="e5b285c73e13a0d922eba5d83760c168d4fd388e54a519830003b2e692dab823")
- version("23.03", sha256="e1274aaa2a2c83d599d61c6e4c426db4ed5d4c5dc61a2002715783a6c4843718")
- version("23.02", sha256="a6c63ebc38cbd224422259a814be501ac79a3b734dab7f59500b6957cddaaac1")
- version("23.01", sha256="e853d01c20ea00c8ddedfa82a31a11d9d91a7f418d37d7f064cf8a241ea4da0c")
- version("22.12", sha256="96019902cd6ea444a1ae515e8853048e9074822c168021e4ec1687adc72ef062")
- version("22.11", sha256="528f65958f2f9e60a094e54eede698e871ccefc89fa103fe2a6f22e4a059515e")
- version("22.10", sha256="3cbbbbb4d79f806b15e81c3d0e4a4401d1d03d925154682a3060efebd3b6ca3e")
- version("22.09", sha256="dbef1318248c86c860cc47f7e18bbb0397818e3acdfb459e48075004bdaedea3")
- version("22.08", sha256="5ff7fd628e8bf615c1107e6c51bc55926f3ef2a076985444b889d292fecf56d4")
- version("22.07", sha256="0286adc788136cb78033cb1678d38d36e42265bcfd3d0c361a9bcc2cfcdf241b")
- version("22.06", sha256="e78398e215d3fc6bc5984f5d1c2ddeac290dcbc8a8e9d196e828ef6299187db9")
- version("22.05", sha256="2fa69e6a4db36459b67bf663e8fbf56191f6c8c25dc76301dbd02a36f9b50479")
- version("22.04", sha256="9234d12e28b323cb250d3d2cefee0b36246bd8a1d1eb48e386f41977251c028f")
- version("22.03", sha256="ddbef760c8000f2f827dfb097ca3359e7aecbea8766bec5c3a91ee28d3641564")
- version("22.02", sha256="d74b593d6f396e037970c5fbe10c2e5d71d557a99c97d40e4255226bc6c26e42")
- version("22.01", sha256="e465ffadabb7dc360c63c4d3862dc08082b5b0e77923d3fb05570408748b0d28")
+ version("24.08", sha256="8da1f2967f613a65a295260260aa4f081ac1d1b7c1d6987d294e02b86099df08")
+ version(
+ "23.08",
+ sha256="67695ff04b83d1823ea621c19488e54ebaf268532b0e5eb4ea8ad293d7ab3ddc",
+ deprecated=True,
+ )
+ version(
+ "23.07",
+ sha256="511633f94c0d0205013609bde5bbf92a29c2e69f6e69b461b80d09dc25602945",
+ deprecated=True,
+ )
+ version(
+ "23.06",
+ sha256="75fcac949220c44dce04de581860c9a2caa31a0eee8aa7d49455fa5fc928514b",
+ deprecated=True,
+ )
+ version(
+ "23.05",
+ sha256="34306a98fdb1f5f44ab4fb92f35966bfccdcf1680a722aa773af2b59a3060d73",
+ deprecated=True,
+ )
+ version(
+ "23.04",
+ sha256="e5b285c73e13a0d922eba5d83760c168d4fd388e54a519830003b2e692dab823",
+ deprecated=True,
+ )
+ version(
+ "23.03",
+ sha256="e1274aaa2a2c83d599d61c6e4c426db4ed5d4c5dc61a2002715783a6c4843718",
+ deprecated=True,
+ )
+ version(
+ "23.02",
+ sha256="a6c63ebc38cbd224422259a814be501ac79a3b734dab7f59500b6957cddaaac1",
+ deprecated=True,
+ )
+ version(
+ "23.01",
+ sha256="e853d01c20ea00c8ddedfa82a31a11d9d91a7f418d37d7f064cf8a241ea4da0c",
+ deprecated=True,
+ )
+ version(
+ "22.12",
+ sha256="96019902cd6ea444a1ae515e8853048e9074822c168021e4ec1687adc72ef062",
+ deprecated=True,
+ )
+ version(
+ "22.11",
+ sha256="528f65958f2f9e60a094e54eede698e871ccefc89fa103fe2a6f22e4a059515e",
+ deprecated=True,
+ )
+ version(
+ "22.10",
+ sha256="3cbbbbb4d79f806b15e81c3d0e4a4401d1d03d925154682a3060efebd3b6ca3e",
+ deprecated=True,
+ )
+ version(
+ "22.09",
+ sha256="dbef1318248c86c860cc47f7e18bbb0397818e3acdfb459e48075004bdaedea3",
+ deprecated=True,
+ )
+ version(
+ "22.08",
+ sha256="5ff7fd628e8bf615c1107e6c51bc55926f3ef2a076985444b889d292fecf56d4",
+ deprecated=True,
+ )
+ version(
+ "22.07",
+ sha256="0286adc788136cb78033cb1678d38d36e42265bcfd3d0c361a9bcc2cfcdf241b",
+ deprecated=True,
+ )
+ version(
+ "22.06",
+ sha256="e78398e215d3fc6bc5984f5d1c2ddeac290dcbc8a8e9d196e828ef6299187db9",
+ deprecated=True,
+ )
+ version(
+ "22.05",
+ sha256="2fa69e6a4db36459b67bf663e8fbf56191f6c8c25dc76301dbd02a36f9b50479",
+ deprecated=True,
+ )
+ version(
+ "22.04",
+ sha256="9234d12e28b323cb250d3d2cefee0b36246bd8a1d1eb48e386f41977251c028f",
+ deprecated=True,
+ )
+ version(
+ "22.03",
+ sha256="ddbef760c8000f2f827dfb097ca3359e7aecbea8766bec5c3a91ee28d3641564",
+ deprecated=True,
+ )
+ version(
+ "22.02",
+ sha256="d74b593d6f396e037970c5fbe10c2e5d71d557a99c97d40e4255226bc6c26e42",
+ deprecated=True,
+ )
+ version(
+ "22.01",
+ sha256="e465ffadabb7dc360c63c4d3862dc08082b5b0e77923d3fb05570408748b0d28",
+ deprecated=True,
+ )
# 22.01+ requires C++17 or newer
- version("21.12", sha256="847c98aac20c73d94c823378803c82be9a14139f1c14ea483757229b452ce4c1")
- version("21.11", sha256="ce60377771c732033a77351cd3500b24b5d14b54a5adc7a622767b9251c10d0b")
- version("21.10", sha256="d372c573f0360094d5982d64eceeb0149d6620eb75e8fdbfdc6777f3328fb454")
- version("21.09", sha256="861a65f11846541c803564db133c8678b9e8779e69902ef1637b21399d257eab")
- version("21.08", sha256="6128a32cfd075bc63d08eebea6d4f62d33ce0570f4fd72330a71023ceacccc86")
- version("21.07", sha256="a8740316d813c365715f7471201499905798b50bd94950d33f1bd91478d49561")
- version("21.06", sha256="a26039dc4061da45e779dd5002467c67a533fc08d30841e01e7abb3a890fbe30")
- version("21.05", sha256="f835f0ae6c5702550d23191aa0bb0722f981abb1460410e3d8952bc3d945a9fc")
- version("21.04", sha256="51d2d8b4542eada96216e8b128c0545c4b7527addc2038efebe586c32c4020a0")
-
- depends_on("cxx", type="build") # generated
+ version(
+ "21.12",
+ sha256="847c98aac20c73d94c823378803c82be9a14139f1c14ea483757229b452ce4c1",
+ deprecated=True,
+ )
+ version(
+ "21.11",
+ sha256="ce60377771c732033a77351cd3500b24b5d14b54a5adc7a622767b9251c10d0b",
+ deprecated=True,
+ )
+ version(
+ "21.10",
+ sha256="d372c573f0360094d5982d64eceeb0149d6620eb75e8fdbfdc6777f3328fb454",
+ deprecated=True,
+ )
+ version(
+ "21.09",
+ sha256="861a65f11846541c803564db133c8678b9e8779e69902ef1637b21399d257eab",
+ deprecated=True,
+ )
+ version(
+ "21.08",
+ sha256="6128a32cfd075bc63d08eebea6d4f62d33ce0570f4fd72330a71023ceacccc86",
+ deprecated=True,
+ )
+ version(
+ "21.07",
+ sha256="a8740316d813c365715f7471201499905798b50bd94950d33f1bd91478d49561",
+ deprecated=True,
+ )
+ version(
+ "21.06",
+ sha256="a26039dc4061da45e779dd5002467c67a533fc08d30841e01e7abb3a890fbe30",
+ deprecated=True,
+ )
+ version(
+ "21.05",
+ sha256="f835f0ae6c5702550d23191aa0bb0722f981abb1460410e3d8952bc3d945a9fc",
+ deprecated=True,
+ )
+ version(
+ "21.04",
+ sha256="51d2d8b4542eada96216e8b128c0545c4b7527addc2038efebe586c32c4020a0",
+ deprecated=True,
+ )
# 20.01+ requires C++14 or newer
variant("app", default=True, description="Build the WarpX executable application")
@@ -88,6 +202,13 @@ class Warpx(CMakePackage):
when="@23.06:",
)
variant("eb", default=False, description="Embedded boundary support (in development)")
+ # Spack defaults to False but pybind11 defaults to True (and IPO is highly
+ # encouraged to be used)
+ variant(
+ "python_ipo",
+ default=True,
+ description="CMake interprocedural optimization for Python bindings (recommended)",
+ )
variant("lib", default=True, description="Build WarpX as a shared library")
variant("mpi", default=True, description="Enable MPI support")
variant(
@@ -103,14 +224,22 @@ class Warpx(CMakePackage):
multi=False,
description="Floating point precision (single/double)",
)
- variant("psatd", default=True, description="Enable PSATD solver support")
+ variant("fft", default=True, description="Enable support for FFT-based solvers")
+ variant("python", default=False, description="Enable Python bindings")
variant("qed", default=True, description="Enable QED support")
variant("qedtablegen", default=False, description="QED table generation support")
variant("shared", default=True, description="Build a shared version of the library")
variant("tprof", default=True, description="Enable tiny profiling features")
- depends_on("sensei@4.0.0:", when="@22.07: +sensei")
- conflicts("+sensei", when="@:22.06", msg="WarpX supports SENSEI 4.0+ with 22.07 and newer")
+ depends_on("cxx", type="build")
+
+ for v in ["24.08", "develop"]:
+ depends_on(
+ f"amrex@{v} build_system=cmake +linear_solvers +pic +particles +shared +tiny_profile",
+ when=f"@{v}",
+ type=("build", "link"),
+ )
+ 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")
@@ -119,27 +248,53 @@ class Warpx(CMakePackage):
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:")
+ with when("dims=1"):
+ depends_on("amrex dimensions=1")
+ with when("dims=2"):
+ depends_on("amrex dimensions=2")
+ with when("dims=rz"):
+ depends_on("amrex dimensions=2")
+ with when("dims=3"):
+ depends_on("amrex dimensions=3")
+ with when("+eb"):
+ depends_on("amrex +eb")
depends_on("mpi", when="+mpi")
+ with when("+mpi"):
+ depends_on("amrex +mpi")
+ depends_on("py-amrex +mpi", when="+python")
+ with when("~mpi"):
+ depends_on("amrex ~mpi")
+ depends_on("py-amrex ~mpi", when="~python")
+ with when("precision=single"):
+ depends_on("amrex precision=single")
+ with when("precision=double"):
+ depends_on("amrex precision=double")
+ depends_on("py-pybind11@2.12.0:", when="@24.04: +python", type=("build", "link"))
+ depends_on("sensei@4.0.0:", when="@22.07: +sensei")
with when("compute=cuda"):
+ depends_on("amrex +cuda")
depends_on("cuda@9.2.88:")
depends_on("cuda@11.0:", when="@22.01:")
with when("compute=hip"):
- depends_on("rocfft", when="+psatd")
+ depends_on("amrex +rocm")
+ depends_on("rocfft", when="+fft")
depends_on("rocprim")
depends_on("rocrand")
with when("compute=noacc"):
- with when("+psatd"):
+ depends_on("amrex ~cuda ~openmp ~rocm ~sycl")
+ with when("+fft"):
depends_on("fftw@3: ~mpi", when="~mpi")
depends_on("fftw@3: +mpi", when="+mpi")
depends_on("pkgconfig", type="build")
with when("compute=omp"):
+ depends_on("amrex +openmp")
depends_on("llvm-openmp", when="%apple-clang")
- with when("+psatd"):
+ with when("+fft"):
depends_on("fftw@3: +openmp")
depends_on("fftw ~mpi", when="~mpi")
depends_on("fftw +mpi", when="+mpi")
depends_on("pkgconfig", type="build")
- with when("+psatd dims=rz"):
+ with when("+fft dims=rz"):
depends_on("lapackpp")
depends_on("blaspp")
depends_on("blaspp +cuda", when="compute=cuda")
@@ -150,13 +305,30 @@ class Warpx(CMakePackage):
depends_on("openpmd-api ~mpi", when="~mpi")
depends_on("openpmd-api +mpi", when="+mpi")
+ # Python bindings
+ # note: in Spack, we only need the cmake package, not py-cmake
+ with when("+python"):
+ extends("python")
+ depends_on("python@3.8:", type=("build", "run"))
+ depends_on("py-numpy@1.15.0:", type=("build", "run"))
+ 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-pip@23:", type="build")
+ depends_on("py-setuptools@42:", type="build")
+ depends_on("py-pybind11@2.12.0:", type=("build", "link"))
+ depends_on("py-wheel@0.40:", type="build")
+
+ conflicts("+python", when="@:24.04", msg="Python bindings only supported in 24.04+")
conflicts("dims=1", when="@:21.12", msg="WarpX 1D support starts in 22.01+")
conflicts("~qed +qedtablegen", msg="WarpX PICSAR QED table generation needs +qed")
conflicts(
"compute=sycl",
- when="+psatd",
- msg="WarpX spectral solvers are not yet tested with SYCL " '(use "warpx ~psatd")',
+ when="+fft",
+ msg="WarpX spectral solvers are not yet tested with SYCL " '(use "warpx ~fft")',
)
+ conflicts("+sensei", when="@:22.06", msg="WarpX supports SENSEI 4.0+ with 22.07 and newer")
# The symbolic aliases for our +lib target were missing in the install
# location
@@ -210,11 +382,17 @@ class Warpx(CMakePackage):
self.define_from_variant("WarpX_MPI_THREAD_MULTIPLE", "mpithreadmultiple"),
self.define_from_variant("WarpX_OPENPMD", "openpmd"),
"-DWarpX_PRECISION={0}".format(spec.variants["precision"].value.upper()),
- self.define_from_variant("WarpX_PSATD", "psatd"),
+ self.define_from_variant("WarpX_PYTHON", "python"),
self.define_from_variant("WarpX_QED", "qed"),
self.define_from_variant("WarpX_QED_TABLE_GEN", "qedtablegen"),
]
+ if spec.satisfies("@24.08:"):
+ args.append("-DWarpX_amrex_internal=OFF")
+ args.append(self.define_from_variant("WarpX_FFT", "fft"))
+ else:
+ args.append(self.define_from_variant("WarpX_PSATD", "fft"))
+
# FindMPI needs an extra hint sometimes, particularly on cray systems
if "+mpi" in spec:
args.append(self.define("MPI_C_COMPILER", spec["mpi"].mpicc))
@@ -223,6 +401,12 @@ class Warpx(CMakePackage):
if "+openpmd" in spec:
args.append("-DWarpX_openpmd_internal=OFF")
+ if "+python" in spec:
+ if spec.satisfies("@24.08:"):
+ args.append("-DWarpX_pyamrex_internal=OFF")
+ args.append("-DWarpX_pybind11_internal=OFF")
+ args.append(self.define_from_variant("WarpX_PYTHON_IPO", "python_ipo"))
+
# Work-around for SENSEI 4.0: wrong install location for CMake config
# https://github.com/SENSEI-insitu/SENSEI/issues/79
if "+sensei" in spec:
@@ -234,6 +418,28 @@ class Warpx(CMakePackage):
return args
+ phases = ("cmake", "build", "install", "pip_install_nodeps")
+ build_targets = ["all"]
+ with when("+python"):
+ build_targets += ["pip_wheel"]
+
+ def pip_install_nodeps(self, spec, prefix):
+ """Install everything from build directory."""
+ pip = spec["python"].command
+ pip.add_default_arg("-m", "pip")
+
+ args = PythonPipBuilder.std_args(self) + [
+ f"--prefix={prefix}",
+ "--find-links=warpx-whl",
+ "pywarpx",
+ ]
+
+ with working_dir(self.build_directory):
+ pip(*args)
+
+ # todo: from PythonPipBuilder
+ # ....execute_install_time_tests()
+
@property
def libs(self):
libsuffix = {"1": "1d", "2": "2d", "3": "3d", "rz": "rz"}
@@ -294,7 +500,14 @@ class Warpx(CMakePackage):
install test subdirectory for use during `spack test run`."""
cache_extra_test_sources(self, [self.examples_src_dir])
+ # TODO: remove installed static ablastr lib
+ # (if build as static lib - Spack default is shared)
+ # @run_after("install")
+ # def remove_unwanted_library(self):
+ # ... libablastr_{1d,2d,3d,rz}.a ...
+
def run_warpx(self, dim):
+ """Perform smoke tests on the installed package."""
if "+app" not in self.spec:
raise SkipTest("Package must be installed with +app")
if dim not in self.spec.variants["dims"].value: