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setup.py
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setup.py
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import os
import platform
import re
import shutil
import subprocess
import sys
from setuptools import Extension, setup
from setuptools.command.build import build
from setuptools.command.build_ext import build_ext
class CopyPreBuild(build):
def initialize_options(self):
build.initialize_options(self)
# We just overwrite this because the default "build" (and "build/lib")
# clashes with directories many developers have in their source trees;
# this can create confusing results with "pip install .", which clones
# the whole source tree by default
self.build_base = os.path.join("_tmppythonbuild", "warpx")
def run(self):
# remove existing build directory
# by default, this stays around. we want to make sure generated
# files like libwarpx.(1d|2d|rz|3d).(so|pyd) are always only the
# ones we want to package and not ones from an earlier wheel's stage
if os.path.exists(self.build_base):
shutil.rmtree(self.build_base)
# call superclass
build.run(self)
# matches: warpx_pybind_(1d|2d|rz|3d). ... .(so|pyd)
re_libprefix = re.compile(r"warpx_pybind_..\..*\.(?:so|pyd)")
libs_found = []
for lib_name in os.listdir(PYWARPX_LIB_DIR):
if re_libprefix.match(lib_name):
lib_path = os.path.join(PYWARPX_LIB_DIR, lib_name)
libs_found.append(lib_path)
if len(libs_found) == 0:
raise RuntimeError(
"Error: no pre-build WarpX modules found in "
"PYWARPX_LIB_DIR='{}'".format(PYWARPX_LIB_DIR)
)
# copy external libs into collection of files in a temporary build dir
dst_path = os.path.join(self.build_lib, "pywarpx")
for lib_path in libs_found:
shutil.copy(lib_path, dst_path)
class CMakeExtension(Extension):
def __init__(self, name, sourcedir=""):
Extension.__init__(self, name, sources=[])
self.sourcedir = os.path.abspath(sourcedir)
class CMakeBuild(build_ext):
def run(self):
from packaging.version import parse
try:
out = subprocess.check_output(["cmake", "--version"])
except OSError:
raise RuntimeError(
"CMake 3.24.0+ must be installed to build the following "
+ "extensions: "
+ ", ".join(e.name for e in self.extensions)
)
cmake_version = parse(re.search(r"version\s*([\d.]+)", out.decode()).group(1))
if cmake_version < parse("3.24.0"):
raise RuntimeError("CMake >= 3.24.0 is required")
for ext in self.extensions:
self.build_extension(ext)
def build_extension(self, ext):
extdir = os.path.abspath(os.path.dirname(self.get_ext_fullpath(ext.name)))
# required for auto-detection of auxiliary "native" libs
if not extdir.endswith(os.path.sep):
extdir += os.path.sep
r_dim = re.search(r"warpx_(1|2|rz|3)(?:d*)", ext.name)
dims = r_dim.group(1).upper()
pyv = sys.version_info
cmake_args = [
# Python: use the calling interpreter in CMake
# https://cmake.org/cmake/help/latest/module/FindPython.html#hints
# https://cmake.org/cmake/help/latest/command/find_package.html#config-mode-version-selection
f"-DPython_ROOT_DIR={sys.prefix}",
f"-DPython_FIND_VERSION={pyv.major}.{pyv.minor}.{pyv.micro}",
"-DPython_FIND_VERSION_EXACT=TRUE",
"-DPython_FIND_STRATEGY=LOCATION",
"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY=" + os.path.join(extdir, "pywarpx"),
"-DCMAKE_RUNTIME_OUTPUT_DIRECTORY=" + extdir,
"-DWarpX_DIMS=" + dims,
"-DWarpX_APP:BOOL=OFF",
## variants
"-DWarpX_COMPUTE=" + WARPX_COMPUTE,
"-DWarpX_MPI:BOOL=" + WARPX_MPI,
"-DWarpX_EB:BOOL=" + WARPX_EB,
"-DWarpX_OPENPMD:BOOL=" + WARPX_OPENPMD,
"-DWarpX_PRECISION=" + WARPX_PRECISION,
"-DWarpX_PARTICLE_PRECISION=" + WARPX_PARTICLE_PRECISION,
"-DWarpX_FFT:BOOL=" + WARPX_FFT,
"-DWarpX_PYTHON:BOOL=ON",
"-DWarpX_PYTHON_IPO:BOOL=" + WARPX_PYTHON_IPO,
"-DWarpX_QED:BOOL=" + WARPX_QED,
"-DWarpX_QED_TABLE_GEN:BOOL=" + WARPX_QED_TABLE_GEN,
## dependency control (developers & package managers)
"-DWarpX_amrex_internal=" + WARPX_AMREX_INTERNAL,
# PEP-440 conformant version from package
"-DpyWarpX_VERSION_INFO=" + self.distribution.get_version(),
# see PICSAR and openPMD below
## static/shared libs
"-DBUILD_SHARED_LIBS:BOOL=" + BUILD_SHARED_LIBS,
## Unix: rpath to current dir when packaged
## needed for shared (here non-default) builds and ADIOS1
## wrapper libraries
"-DCMAKE_BUILD_WITH_INSTALL_RPATH:BOOL=ON",
"-DCMAKE_INSTALL_RPATH_USE_LINK_PATH:BOOL=OFF",
# Windows: has no RPath concept, all `.dll`s must be in %PATH%
# or same dir as calling executable
]
if WARPX_QED.upper() in ["1", "ON", "TRUE", "YES"]:
cmake_args.append("-DWarpX_picsar_internal=" + WARPX_PICSAR_INTERNAL)
if WARPX_OPENPMD.upper() in ["1", "ON", "TRUE", "YES"]:
cmake_args += [
"-DHDF5_USE_STATIC_LIBRARIES:BOOL=" + HDF5_USE_STATIC_LIBRARIES,
"-DADIOS_USE_STATIC_LIBS:BOOL=" + ADIOS_USE_STATIC_LIBS,
"-DWarpX_openpmd_internal=" + WARPX_OPENPMD_INTERNAL,
]
# further dependency control (developers & package managers)
if WARPX_AMREX_SRC:
cmake_args.append("-DWarpX_amrex_src=" + WARPX_AMREX_SRC)
if WARPX_AMREX_REPO:
cmake_args.append("-DWarpX_amrex_repo=" + WARPX_AMREX_REPO)
if WARPX_AMREX_BRANCH:
cmake_args.append("-DWarpX_amrex_branch=" + WARPX_AMREX_BRANCH)
if WARPX_OPENPMD_SRC:
cmake_args.append("-DWarpX_openpmd_src=" + WARPX_OPENPMD_SRC)
if WARPX_PICSAR_SRC:
cmake_args.append("-DWarpX_picsar_src=" + WARPX_PICSAR_SRC)
if WARPX_PYAMREX_SRC:
cmake_args.append("-DWarpX_pyamrex_src=" + WARPX_PYAMREX_SRC)
if WARPX_PYAMREX_INTERNAL:
cmake_args.append("-DWarpX_pyamrex_internal=" + WARPX_PYAMREX_INTERNAL)
if WARPX_PYBIND11_SRC:
cmake_args.append("-DWarpX_pybind11_src=" + WARPX_PYBIND11_SRC)
if WARPX_PYBIND11_INTERNAL:
cmake_args.append("-DWarpX_pybind11_internal=" + WARPX_PYBIND11_INTERNAL)
if WARPX_CCACHE_PROGRAM is not None:
cmake_args.append("-DCCACHE_PROGRAM=" + WARPX_CCACHE_PROGRAM)
if sys.platform == "darwin":
cmake_args.append("-DCMAKE_INSTALL_RPATH=@loader_path")
else:
# values: linux*, aix, freebsd, ...
# just as well win32 & cygwin (although Windows has no RPaths)
cmake_args.append("-DCMAKE_INSTALL_RPATH=$ORIGIN")
cfg = "Debug" if self.debug else "Release"
build_args = ["--config", cfg]
if platform.system() == "Windows":
cmake_args += [
"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY_{}={}".format(
cfg.upper(), os.path.join(extdir, "pywarpx")
)
]
if sys.maxsize > 2**32:
cmake_args += ["-A", "x64"]
else:
cmake_args += ["-DCMAKE_BUILD_TYPE=" + cfg]
build_args += ["--parallel", BUILD_PARALLEL]
build_dir = os.path.join(self.build_temp, dims)
os.makedirs(build_dir, exist_ok=True)
subprocess.check_call(["cmake", ext.sourcedir] + cmake_args, cwd=build_dir)
subprocess.check_call(["cmake", "--build", "."] + build_args, cwd=build_dir)
# note that this does not call install;
# we pick up artifacts directly from the build output dirs
with open("./README.md", encoding="utf-8") as f:
long_description = f.read()
# Allow to control options via environment vars.
# Work-around for https://github.com/pypa/setuptools/issues/1712
# Pick up existing WarpX libraries or...
PYWARPX_LIB_DIR = os.environ.get("PYWARPX_LIB_DIR")
WARPX_PYTHON_IPO = os.environ.get("WARPX_PYTHON_IPO", "ON")
env = os.environ.copy()
# ... build WarpX libraries with CMake
# note: changed default for SHARED, MPI, TESTING and EXAMPLES
# note: we use all-uppercase variable names for environment control to be
# consistent across platforms (especially Windows)
WARPX_COMPUTE = env.pop("WARPX_COMPUTE", "OMP")
WARPX_MPI = env.pop("WARPX_MPI", "OFF")
WARPX_EB = env.pop("WARPX_EB", "ON")
WARPX_OPENPMD = env.pop("WARPX_OPENPMD", "ON")
WARPX_PRECISION = env.pop("WARPX_PRECISION", "DOUBLE")
WARPX_PARTICLE_PRECISION = env.pop("WARPX_PARTICLE_PRECISION", WARPX_PRECISION)
WARPX_FFT = env.pop("WARPX_FFT", "OFF")
WARPX_QED = env.pop("WARPX_QED", "ON")
WARPX_QED_TABLE_GEN = env.pop("WARPX_QED_TABLE_GEN", "OFF")
WARPX_DIMS = env.pop("WARPX_DIMS", "1;2;RZ;3")
BUILD_PARALLEL = env.pop("BUILD_PARALLEL", "2")
BUILD_SHARED_LIBS = env.pop("WARPX_BUILD_SHARED_LIBS", "OFF")
# BUILD_TESTING = env.pop('WARPX_BUILD_TESTING',
# 'OFF')
# BUILD_EXAMPLES = env.pop('WARPX_BUILD_EXAMPLES',
# 'OFF')
# openPMD-api sub-control
HDF5_USE_STATIC_LIBRARIES = env.pop("HDF5_USE_STATIC_LIBRARIES", "OFF")
ADIOS_USE_STATIC_LIBS = env.pop("ADIOS_USE_STATIC_LIBS", "OFF")
# CMake dependency control (developers & package managers)
WARPX_AMREX_SRC = env.pop("WARPX_AMREX_SRC", "")
WARPX_AMREX_REPO = env.pop("WARPX_AMREX_REPO", "")
WARPX_AMREX_BRANCH = env.pop("WARPX_AMREX_BRANCH", "")
WARPX_AMREX_INTERNAL = env.pop("WARPX_AMREX_INTERNAL", "ON")
WARPX_OPENPMD_SRC = env.pop("WARPX_OPENPMD_SRC", "")
WARPX_OPENPMD_INTERNAL = env.pop("WARPX_OPENPMD_INTERNAL", "ON")
WARPX_PICSAR_SRC = env.pop("WARPX_PICSAR_SRC", "")
WARPX_PICSAR_INTERNAL = env.pop("WARPX_PICSAR_INTERNAL", "ON")
WARPX_PYAMREX_SRC = env.pop("WARPX_PYAMREX_SRC", "")
WARPX_PYAMREX_INTERNAL = env.pop("WARPX_PYAMREX_INTERNAL", "ON")
WARPX_PYBIND11_SRC = env.pop("WARPX_PYBIND11_SRC", "")
WARPX_PYBIND11_INTERNAL = env.pop("WARPX_PYBIND11_INTERNAL", "ON")
WARPX_CCACHE_PROGRAM = env.pop("WARPX_CCACHE_PROGRAM", None)
for key in env.keys():
if key.lower().startswith("warpx"):
print(
f"\nWARNING: Found environment variable '{key}', which is not a recognized WarpX option\n"
)
# https://cmake.org/cmake/help/v3.0/command/if.html
if WARPX_MPI.upper() in ["1", "ON", "TRUE", "YES"]:
WARPX_MPI = "ON"
else:
WARPX_MPI = "OFF"
# Include embedded boundary functionality
if WARPX_EB.upper() in ["1", "ON", "TRUE", "YES"]:
WARPX_EB = "ON"
else:
WARPX_EB = "OFF"
# for CMake
cxx_modules = [] # values: warpx_1d, warpx_2d, warpx_rz, warpx_3d
cmdclass = {} # build extensions
# externally pre-built: pick up pre-built WarpX libraries
if PYWARPX_LIB_DIR:
cmdclass = dict(build=CopyPreBuild)
# CMake: build WarpX libraries ourselves
else:
cmdclass = dict(build_ext=CMakeBuild)
for dim in [x.lower() for x in WARPX_DIMS.split(";")]:
name = dim if dim == "rz" else dim + "d"
cxx_modules.append(CMakeExtension("warpx_" + name))
# Get the package requirements from the requirements.txt file
install_requires = []
with open("./requirements.txt") as f:
install_requires = [line.strip("\n") for line in f.readlines()]
if WARPX_MPI == "ON":
install_requires.append("mpi4py>=2.1.0")
# keyword reference:
# https://packaging.python.org/guides/distributing-packages-using-setuptools
setup(
name="pywarpx",
# note PEP-440 syntax: x.y.zaN but x.y.z.devN
version="24.12",
packages=["pywarpx"],
package_dir={"pywarpx": "Python/pywarpx"},
author="Jean-Luc Vay, David P. Grote, Maxence Thévenet, Rémi Lehe, Andrew Myers, Weiqun Zhang, Axel Huebl, et al.",
maintainer="Axel Huebl, David P. Grote, Rémi Lehe", # wheel/pypi packages
description="WarpX is an advanced electromagnetic Particle-In-Cell code.",
long_description=long_description,
long_description_content_type="text/markdown",
keywords=(
"WarpX openscience mpi hpc research pic particle-in-cell "
"plasma laser-plasma accelerator modeling simulation"
),
url="https://ecp-warpx.github.io",
project_urls={
"Documentation": "https://warpx.readthedocs.io",
"Doxygen": "https://warpx.readthedocs.io/en/latest/_static/doxyhtml/index.html",
#'Reference': 'https://doi.org/...', (Paper and/or Zenodo)
"Source": "https://github.com/ECP-WarpX/WarpX",
"Tracker": "https://github.com/ECP-WarpX/WarpX/issues",
},
# CMake: self-built as extension module
ext_modules=cxx_modules,
cmdclass=cmdclass,
# scripts=['warpx_1d', 'warpx_2d', 'warpx_rz', 'warpx_3d'],
zip_safe=False,
python_requires=">=3.8",
# tests_require=['pytest'],
install_requires=install_requires,
# see: src/bindings/python/cli
# entry_points={
# 'console_scripts': [
# 'warpx_3d = warpx.3d.__main__:main'
# ]
# },
extras_require={
"all": [
"openPMD-api~=0.15.1",
"openPMD-viewer~=1.1",
"yt>=4.1.0",
"matplotlib",
],
},
# cmdclass={'test': PyTest},
# platforms='any',
classifiers=[
"Development Status :: 5 - Production/Stable",
"Natural Language :: English",
"Environment :: Console",
"Intended Audience :: Science/Research",
"Operating System :: OS Independent",
"Topic :: Scientific/Engineering",
"Topic :: Scientific/Engineering :: Physics",
"Programming Language :: C++",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
(
"License :: OSI Approved :: " "BSD License"
), # TODO: use real SPDX: BSD-3-Clause-LBNL
],
# new PEP 639 format
license="BSD-3-Clause-LBNL",
license_files=["LICENSE.txt", "LEGAL.txt"],
)