WarpX 23.06 (#38303)

* WarpX 23.06

Update WarpX and related Python packages to the lastest releases.

WarpX 23.06 introduces multi-dimension support in a single package,
which will ease deployment in E4S et al. that can ship now a single,
full-feature module/package that is NOT incompatible with itself
anymore.

* e4s ci stacks: multiple specs for each dim variant no longer required

* [@spackbot] updating style on behalf of ax3l

* WarpX: Update CMake CLI and Test/Check

* Add Missing `build-directory`

* [@spackbot] updating style on behalf of ax3l

* Remove `build_directory` again

---------

Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
Co-authored-by: ax3l <ax3l@users.noreply.github.com>
This commit is contained in:
Axel Huebl 2023-06-16 06:47:59 -07:00 committed by GitHub
parent 69a5c55702
commit d1bc4c4ef1
No known key found for this signature in database
GPG key ID: 4AEE18F83AFDEB23
5 changed files with 63 additions and 30 deletions

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@ -121,9 +121,7 @@ spack:
- py-jupyterhub
- py-libensemble +mpi +nlopt
- py-petsc4py
- py-warpx ^warpx dims=2
- py-warpx ^warpx dims=3
- py-warpx ^warpx dims=rz
- py-warpx
- qthreads scheduler=distrib
- quantum-espresso
- raja

View file

@ -128,9 +128,7 @@ spack:
- py-jupyterhub
- py-libensemble +mpi +nlopt
- py-petsc4py
- py-warpx ^warpx dims=2
- py-warpx ^warpx dims=3
- py-warpx ^warpx dims=rz
- py-warpx
- qthreads scheduler=distrib
- quantum-espresso
- raja

View file

@ -16,6 +16,10 @@ class PyPicmistandard(PythonPackage):
maintainers("ax3l", "dpgrote", "RemiLehe")
version("develop", branch="master")
version("0.25.0", sha256="0a78b3b17054d0861626287ace1fb9321469a9c95795b92981103b27d7797f67")
version("0.24.0", sha256="55a82adcc14b41eb612caf0d9e47b0e2a56ffc196a58b41fa0cc395c6924be9a")
version("0.23.2", sha256="e6b4c46b23520d0a97b904df90d53ff6a3209b2b6b2fa741f684c594429a591c")
version("0.23.1", sha256="90ad1d3d2759d910cfdb88484516b7d0434ec98e881af46961b7e2faa534434d")
version("0.0.22", sha256="e234a431274254b22cd70be64d6555b383d98426b2763ea0c174cf77bf4d0890")
version("0.0.21", sha256="930056a23ed92dac7930198f115b6248606b57403bffebce3d84579657c8d10b")
version("0.0.20", sha256="9c1822eaa2e4dd543b5afcfa97940516267dda3890695a6cf9c29565a41e2905")

View file

@ -18,7 +18,7 @@ class PyWarpx(PythonPackage):
"""
homepage = "https://ecp-warpx.github.io"
url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.03.tar.gz"
url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.06.tar.gz"
git = "https://github.com/ECP-WarpX/WarpX.git"
maintainers("ax3l", "dpgrote", "RemiLehe")
@ -27,6 +27,9 @@ class PyWarpx(PythonPackage):
# NOTE: if you update the versions here, also see warpx
version("develop", branch="development")
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")
@ -55,6 +58,9 @@ class PyWarpx(PythonPackage):
variant("mpi", default=True, description="Enable MPI support")
for v in [
"23.06",
"23.05",
"23.04",
"23.03",
"23.02",
"23.01",
@ -93,7 +99,9 @@ class PyWarpx(PythonPackage):
depends_on("py-picmistandard@0.0.18", type=("build", "run"), when="@22.01")
depends_on("py-picmistandard@0.0.19", type=("build", "run"), when="@22.02:22.09")
depends_on("py-picmistandard@0.0.20", type=("build", "run"), when="@22.10:22.11")
depends_on("py-picmistandard@0.0.22", type=("build", "run"), when="@22.12:")
depends_on("py-picmistandard@0.0.22", type=("build", "run"), when="@22.12:23.03")
depends_on("py-picmistandard@0.23.2", type=("build", "run"), when="@23.04:23.05")
depends_on("py-picmistandard@0.24.0", type=("build", "run"), when="@23.06:")
depends_on("py-setuptools@42:", type="build")
# Since we use PYWARPX_LIB_DIR to pull binaries out of the
# 'warpx' spack package, we don't need py-cmake as declared

View file

@ -17,7 +17,7 @@ class Warpx(CMakePackage):
"""
homepage = "https://ecp-warpx.github.io"
url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.03.tar.gz"
url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.06.tar.gz"
git = "https://github.com/ECP-WarpX/WarpX.git"
maintainers("ax3l", "dpgrote", "MaxThevenet", "RemiLehe")
@ -25,6 +25,9 @@ class Warpx(CMakePackage):
# NOTE: if you update the versions here, also see py-warpx
version("develop", branch="development")
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")
@ -68,6 +71,15 @@ class Warpx(CMakePackage):
values=("1", "2", "3", "rz"),
multi=False,
description="Number of spatial dimensions",
when="@:23.05",
)
variant(
"dims",
default="1,2,rz,3",
values=("1", "2", "3", "rz"),
multi=True,
description="Number of spatial dimensions",
when="@23.06:",
)
variant("eb", default=False, description="Embedded boundary support (in development)")
variant("lib", default=True, description="Build WarpX as a shared library")
@ -184,7 +196,7 @@ def cmake_args(self):
self.define_from_variant("WarpX_ASCENT", "ascent"),
self.define_from_variant("WarpX_SENSEI", "sensei"),
"-DWarpX_COMPUTE={0}".format(spec.variants["compute"].value.upper()),
"-DWarpX_DIMS={0}".format(spec.variants["dims"].value.upper()),
"-DWarpX_DIMS={0}".format(";".join(spec.variants["dims"].value).upper()),
self.define_from_variant("WarpX_EB", "eb"),
self.define_from_variant("WarpX_LIB", "lib"),
self.define_from_variant("WarpX_MPI", "mpi"),
@ -214,50 +226,56 @@ def cmake_args(self):
@property
def libs(self):
libsuffix = {"1": "1d", "2": "2d", "3": "3d", "rz": "rz"}
dims = self.spec.variants["dims"].value
libs = find_libraries(
["libwarpx." + libsuffix[dims]], root=self.prefix, recursive=True, shared=True
)
libs += find_libraries(
["libablastr"], root=self.prefix, recursive=True, shared=self.spec.variants["shared"]
)
libs = []
for dim in self.spec.variants["dims"].value:
libs += find_libraries(
["libwarpx." + libsuffix[dim]], root=self.prefix, recursive=True, shared=True
)
libs += find_libraries(
["libablastr"],
root=self.prefix,
recursive=True,
shared=self.spec.variants["shared"],
)
return libs
# WarpX has many examples to serve as a suitable smoke check. One
# that is typical was chosen here
examples_src_dir = "Examples/Physics_applications/laser_acceleration/"
def _get_input_options(self, post_install):
def _get_input_options(self, dim, post_install):
spec = self.spec
examples_dir = join_path(
self.install_test_root if post_install else self.stage.source_path,
self.examples_src_dir,
)
dims = spec.variants["dims"].value
inputs_nD = {"1": "inputs_1d", "2": "inputs_2d", "3": "inputs_3d", "rz": "inputs_rz"}
if spec.satisfies("@:21.12"):
inputs_nD["rz"] = "inputs_2d_rz"
inputs = join_path(examples_dir, inputs_nD[dims])
inputs = join_path(examples_dir, inputs_nD[dim])
cli_args = [inputs, "max_step=50", "diag1.intervals=10"]
# test openPMD output if compiled in
if "+openpmd" in spec:
cli_args.append("diag1.format=openpmd")
# RZ: New openPMD thetaMode output
if dims == "rz" and spec.satisfies("@22.04:"):
if dim == "rz" and spec.satisfies("@22.04:"):
cli_args.append("diag1.fields_to_plot=Er Et Ez Br Bt Bz jr jt jz rho")
return cli_args
def check(self):
"""Checks after the build phase"""
if "+app" not in self.spec:
spec = self.spec
if "+app" not in spec:
print("WarpX check skipped: requires variant +app")
return
with working_dir("spack-check", create=True):
cli_args = self._get_input_options(False)
warpx = Executable(join_path(self.build_directory, "bin/warpx"))
warpx(*cli_args)
for dim in spec.variants["dims"].value:
cli_args = self._get_input_options(dim, False)
exe_nD = {"1": "warpx.1d", "2": "warpx.2d", "3": "warpx.3d", "rz": "warpx.rz"}
warpx = Executable(join_path(self.build_directory, "bin/" + exe_nD[dim]))
warpx(*cli_args)
@run_after("install")
def copy_test_sources(self):
@ -272,9 +290,16 @@ def test(self):
return
# our executable names are a variant-dependent and naming evolves
exe = find(self.prefix.bin, "warpx.*", recursive=False)[0]
for dim in self.spec.variants["dims"].value:
exe_nD = {"1": "warpx.1d", "2": "warpx.2d", "3": "warpx.3d", "rz": "warpx.rz"}
exe = find(self.prefix.bin, exe_nD[dim] + ".*", recursive=False)[0]
cli_args = self._get_input_options(True)
self.run_test(
exe, cli_args, [], installed=True, purpose="Smoke test for WarpX", skip_missing=False
)
cli_args = self._get_input_options(dim, True)
self.run_test(
exe,
cli_args,
[],
installed=True,
purpose="Smoke test for WarpX",
skip_missing=False,
)