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RNG Functionality Support (#145)
* rng library being generated and model almost done * rng interface integrated into sim * adding support to check for JOB_shotnum * integrated into build files to build pecos_rng_pcg * modified makefile to build pecos rng library across different envs * modified workflow to build rng lib * missed including nanobind explictly in Install build dependencies step * added docstrings and types to parameters and return type * pre-commit changes * more pre-commit changes * pre-commit green * fixed up github action * cleaned up makefile and how to pecos_rng library and modified github action to take account python version for cmake * pre-commit changes * added test case for rng * pre-commit changes for test * changed from unittest to pytest * modified ruff to ignore specific ruff check to assure appropriate building of png library * modified workflow to pick appropriate repo * github action chanegs * lib change didnt go through? fixing * moving stuff around for ci * forgot to fix sdist action * removed uv usage in release * removed uv for build_sdist_quantum_pecos * made changes to python-test to see if pecos rng is built proper * success with python-release action. Adding prefix path to cmake to see if can build with python-test * uv not finding paths properly running new cmmd * changes * moved things around for test * pre-commit changes * Workspace Makefile fix? ---------
1 parent a37facd commit 597324e

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‎.github/workflows/python-release.yml‎

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@@ -198,10 +198,16 @@ jobs:
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- name: Install pecos-rslib
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run: pip install ./pecos-rslib-wheel/*.whl
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- name: Install build dependencies
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- name: Install pecos RNG build dependencies
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run: |
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python -m pip install --upgrade pip
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pip install build
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pip install build nanobind
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- name: Build PECOS RNG
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run: |
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cd clibs/pecos-rng && mkdir build && cd build/ && cmake ..
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make && cd .. && pip install .
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env:
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NANOBIND_DIR: python -m nanobind --include_dir
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- name: Build quantum-pecos SDist
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run: |
@@ -249,10 +255,16 @@ jobs:
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- name: Install pecos-rslib
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run: pip install ./pecos-rslib-wheel/*.whl
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- name: Install build dependencies
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- name: Install pecos rng build dependencies
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run: |
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pip install build nanobind
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- name: Build PECOS RNG
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run: |
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python -m pip install --upgrade pip
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pip install build
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cd clibs/pecos-rng && mkdir build && cd build/ && cmake ..
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make && cd .. && pip install .
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env:
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NANOBIND_DIR: python -m nanobind --include_dir
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- name: Build quantum-pecos wheel
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run: |

‎.github/workflows/python-test.yml‎

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@@ -69,6 +69,18 @@ jobs:
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uv lock --project .
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uv sync --project .
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- name: Install pecos rng build dependencies
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run: |
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uv pip install build nanobind scikit-build-core cmake ninja
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- name: Build PECOS RNG
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run: |
78+
export NANOBIND_CMAKE_DIR=$(uv run -- python -m nanobind --cmake_dir)
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export NANOBIND_DIR=$(uv run -- python -m nanobind --include_dir)
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cd clibs/pecos-rng && mkdir build && cd build/ && cmake .. -DCMAKE_PREFIX_PATH=$NANOBIND_CMAKE_DIR
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cmake --build . && cd ..
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uv pip install .
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- name: Install pecos-rslib with maturin
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run: |
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cd python/pecos-rslib

‎.gitignore‎

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@@ -32,7 +32,6 @@ dist/
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downloads/
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eggs/
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.eggs/
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lib/
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lib64/
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parts/
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sdist/
@@ -177,3 +176,7 @@ cython_debug/
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# and can be added to the global gitignore or merged into this file. For a more nuclear
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# option (not recommended) you can uncomment the following to ignore the entire idea folder.
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.idea/
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# Prevent subdirectory virtual environments
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clibs/*/.venv/
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clibs/*/uv.lock

‎Makefile‎

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# Try to autodetect if python3 or python is the python executable used.
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PYTHONPATH := $(shell which python 2>/dev/null || which python3 2>/dev/null)
5-
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SHELL=bash
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# Requirements
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@echo "Installing requirements..."
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uv sync
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.PHONY: buildrng
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buildrng:
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@echo "Building and installing RNG library..."
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uv pip install nanobind
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cd clibs/pecos-rng && CC=gcc CXX=g++ uv pip install --python $(shell uv run which python) -e .
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# Building development environments
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# ---------------------------------
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.PHONY: build
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build: installreqs ## Compile and install for development
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@unset CONDA_PREFIX && cd python/pecos-rslib/ && uv run maturin develop --uv
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$(MAKE) buildrng
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@unset CONDA_PREFIX && cd python/quantum-pecos && uv pip install -e .[all]
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.PHONY: build-basic
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build-basic: installreqs ## Compile and install for development but do not include install extras
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@unset CONDA_PREFIX && cd python/pecos-rslib/ && uv run maturin develop --uv
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$(MAKE) buildrng
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@unset CONDA_PREFIX && cd python/quantum-pecos && uv pip install -e .
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.PHONY: build-release
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build-release: installreqs ## Build a faster version of binaries
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@unset CONDA_PREFIX && cd python/pecos-rslib/ && uv run maturin develop --uv --release
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$(MAKE) buildrng
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@unset CONDA_PREFIX && cd python/quantum-pecos && uv pip install -e .[all]
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.PHONY: build-native
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build-native: installreqs ## Build a faster version of binaries with native CPU optimization
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@unset CONDA_PREFIX && cd python/pecos-rslib/ && RUSTFLAGS='-C target-cpu=native' \
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&& uv run maturin develop --uv --release
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$(MAKE) buildrng
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@unset CONDA_PREFIX && cd python/quantum-pecos && uv pip install -e .[all]
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# Documentation
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@find . -type d -name "junit" -exec rm -rf {} +
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@find python -name "*.so" -delete
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@find python -name "*.pyd" -delete
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@# Clean clibs build artifacts
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@find clibs -type d -name "build" -exec rm -rf {} +
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@find clibs -type d -name "dist" -exec rm -rf {} +
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@find clibs -type d -name "*.egg-info" -exec rm -rf {} +
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@find clibs -type d -name ".venv" -exec rm -rf {} +
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@find clibs -name "uv.lock" -delete
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@# Clean all target directories in crates (in case they were built independently)
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@find crates -type d -name "target" -exec rm -rf {} +
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@find python -type d -name "target" -exec rm -rf {} +
@@ -167,6 +182,12 @@ clean-windows-ps:
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@powershell -Command "Get-ChildItem -Path . -Recurse -Directory -Filter '.hypothesis' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
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@powershell -Command "Get-ChildItem -Path . -Recurse -Directory -Filter 'junit' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
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@powershell -Command "Get-ChildItem -Path python -Recurse -File -Include '*.so','*.pyd' | Remove-Item -Force -ErrorAction SilentlyContinue"
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@# Clean clibs build artifacts
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@powershell -Command "Get-ChildItem -Path clibs -Recurse -Directory -Filter 'build' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
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@powershell -Command "Get-ChildItem -Path clibs -Recurse -Directory -Filter 'dist' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
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@powershell -Command "Get-ChildItem -Path clibs -Recurse -Directory -Filter '*.egg-info' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
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@powershell -Command "Get-ChildItem -Path clibs -Recurse -Directory -Filter '.venv' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
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@powershell -Command "Get-ChildItem -Path clibs -Recurse -File -Filter 'uv.lock' | Remove-Item -Force -ErrorAction SilentlyContinue"
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@# Clean all target directories in crates
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@powershell -Command "Get-ChildItem -Path crates -Recurse -Directory -Filter 'target' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
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@powershell -Command "Get-ChildItem -Path python -Recurse -Directory -Filter 'target' | Remove-Item -Recurse -Force -ErrorAction SilentlyContinue"
@@ -187,6 +208,12 @@ clean-windows-cmd:
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-@for /f "delims=" %%d in ('dir /s /b /ad .hypothesis 2^>nul') do @rd /s /q "%%d" 2>nul
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-@for /f "delims=" %%d in ('dir /s /b /ad junit 2^>nul') do @rd /s /q "%%d" 2>nul
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-@for /f "delims=" %%f in ('dir /s /b python\*.so python\*.pyd 2^>nul') do @del "%%f" 2>nul
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-@REM Clean clibs build artifacts
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-@for /f "delims=" %%d in ('dir /s /b /ad clibs\build 2^>nul') do @rd /s /q "%%d" 2>nul
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-@for /f "delims=" %%d in ('dir /s /b /ad clibs\dist 2^>nul') do @rd /s /q "%%d" 2>nul
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-@for /f "delims=" %%d in ('dir /s /b /ad clibs\*.egg-info 2^>nul') do @rd /s /q "%%d" 2>nul
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-@for /f "delims=" %%d in ('dir /s /b /ad clibs\.venv 2^>nul') do @rd /s /q "%%d" 2>nul
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-@for /f "delims=" %%f in ('dir /s /b clibs\uv.lock 2^>nul') do @del "%%f" 2>nul
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-@REM Clean all target directories in crates
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-@for /f "delims=" %%d in ('dir /s /b /ad crates\target 2^>nul') do @rd /s /q "%%d" 2>nul
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-@for /f "delims=" %%d in ('dir /s /b /ad python\target 2^>nul') do @rd /s /q "%%d" 2>nul
@@ -201,10 +228,10 @@ pip-install-uv: ## Install uv using pip and create a venv. (Recommended to inst
201228
@echo "Creating venv and installing dependencies..."
202229
uv sync
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204-
.PONY: dev
231+
.PHONY: dev
205232
dev: clean build test ## Run the typical sequence of commands to check everything is running correctly
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207-
.PONY: devl ## Run the commands to make sure everything runs + lint
234+
.PHONY: devl ## Run the commands to make sure everything runs + lint
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devl: dev lint
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# Help

‎clibs/pecos-rng/CMakeLists.txt‎

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# CMakeLists.txt
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cmake_minimum_required(VERSION 3.15...3.27)
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project(pecos_rng LANGUAGES C CXX)
4+
set(CMAKE_OSX_ARCHITECTURES "x86_64;arm64")
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if (CMAKE_VERSION VERSION_LESS 3.18)
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set(DEV_MODULE Development)
9+
else()
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set(DEV_MODULE Development.Module)
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endif()
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13+
# Find Python (for Python 3.13)
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find_package(Python REQUIRED COMPONENTS Interpreter ${DEV_MODULE})
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16+
# Detect the installed nanobind package and import it into CMake
17+
# This executes a Python command to get the nanobind CMake directory
18+
execute_process(
19+
COMMAND "${Python_EXECUTABLE}" -m nanobind --cmake_dir
20+
OUTPUT_STRIP_TRAILING_WHITESPACE
21+
OUTPUT_VARIABLE nanobind_ROOT
22+
)
23+
24+
set(CMAKE_PREFIX_PATH "${nanobind_ROOT}" ${CMAKE_PREFIX_PATH})
25+
26+
# This sets up nanobind
27+
find_package(nanobind CONFIG REQUIRED)
28+
29+
# Add your C source file as a library
30+
add_library(rng_pcg STATIC src/rng_pcg.c) # Compile test.c as a static library
31+
nanobind_add_module(pecos_rng src/wrapper.cpp)
32+
target_link_libraries(pecos_rng PRIVATE rng_pcg)
33+
# Install the module so it can be found by pip install
34+
install(TARGETS pecos_rng DESTINATION "pecos_pcg")

‎clibs/pecos-rng/README.md‎

Whitespace-only changes.

‎clibs/pecos-rng/pecos_pcg/__init__.py‎

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"""Python Package responsible for generating random numbers using pcg_rng."""
2+
3+
from .pecos_rng import (
4+
pcg32_boundedrand,
5+
pcg32_frandom,
6+
pcg32_random,
7+
pcg32_srandom,
8+
)
9+
10+
__all__ = ["pcg32_boundedrand", "pcg32_frandom", "pcg32_random", "pcg32_srandom"]

‎clibs/pecos-rng/pyproject.toml‎

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[build-system]
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requires = ["scikit-build-core[pyproject]", "nanobind"]
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build-backend = "scikit_build_core.build"
4+
5+
[project]
6+
name = "pecos-pcg"
7+
version = "0.1.0"
8+
description = "A Python package with a nanobind-based C++ extension"
9+
license = { text = "MIT" }
10+
readme = "README.md"
11+
requires-python = ">=3.8"
12+
classifiers = [
13+
"Programming Language :: Python :: 3",
14+
"Programming Language :: C++",
15+
"License :: OSI Approved :: MIT License"
16+
]
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18+
[tool.scikit-build]
19+
wheel.packages = ["pecos_pcg"]
20+
# Optional: set cmake minimum version or other CMake arguments
21+
cmake.minimum-version = "3.18"
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cmake.verbose = true

‎clibs/pecos-rng/src/rng_pcg.c‎

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/*
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* PCG Random Number Generation for C.
3+
*
4+
* Copyright 2014 Melissa O'Neill <oneill@pcg-random.org>
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*
6+
* Licensed under the Apache License, Version 2.0 (the "License");
7+
* you may not use this file except in compliance with the License.
8+
* You may obtain a copy of the License at
9+
*
10+
* http://www.apache.org/licenses/LICENSE-2.0
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*
12+
* Unless required by applicable law or agreed to in writing, software
13+
* distributed under the License is distributed on an "AS IS" BASIS,
14+
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
15+
* See the License for the specific language governing permissions and
16+
* limitations under the License.
17+
*
18+
* For additional information about the PCG random number generation scheme,
19+
* including its license and other licensing options, visit
20+
*
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* http://www.pcg-random.org
22+
*/
23+
24+
#include <math.h>
25+
#include "rng_pcg.h"
26+
27+
// RNG state structure
28+
typedef struct pcg_state_setseq_64 {
29+
uint64_t state;
30+
uint64_t inc;
31+
} pcg32_random_t;
32+
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// global RNG state
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static pcg32_random_t pcg32_global = {
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0x853c49e6748fea9bULL,
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0xda3e39cb94b95bdbULL
37+
};
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// default multi[plier]
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#define PCG_DEFAULT_MULTIPLIER_64 6364136223846793005ULL
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// helper functions
43+
static inline uint32_t pcg_rotr_32(uint32_t value, unsigned int urot) {
44+
int rot = (int)urot;
45+
return (value >> rot) | (value << ((-rot) & 31));
46+
}
47+
48+
static inline void pcg_setseq_64_step_r(pcg32_random_t* rng) {
49+
rng->state = rng->state * PCG_DEFAULT_MULTIPLIER_64 + rng->inc;
50+
}
51+
52+
static inline uint32_t pcg_output_xsh_rr_64_32(uint64_t state) {
53+
return pcg_rotr_32(((state >> 18u) ^ state) >> 27u, state >> 59u);
54+
}
55+
56+
static inline uint32_t pcg32_random_r(pcg32_random_t* rng) {
57+
const uint64_t oldstate = rng->state;
58+
pcg_setseq_64_step_r(rng);
59+
return pcg_output_xsh_rr_64_32(oldstate);
60+
}
61+
62+
static inline uint32_t pcg32_boundedrand_r(pcg32_random_t* rng, uint32_t ubound) {
63+
int32_t bound = (int32_t)ubound;
64+
uint32_t threshold = -bound % bound;
65+
for (;;) {
66+
const uint32_t r = pcg32_random_r(rng);
67+
if (r >= threshold)
68+
return r % bound;
69+
}
70+
}
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static inline void pcg32_srandom_r(pcg32_random_t* rng, uint64_t initstate, uint64_t initseq) {
73+
rng->state = 0U;
74+
rng->inc = (initseq << 1u) | 1u;
75+
pcg_setseq_64_step_r(rng);
76+
rng->state += initstate;
77+
pcg_setseq_64_step_r(rng);
78+
}
79+
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// public interface to RNG
81+
82+
uint32_t pcg32_random() {
83+
return pcg32_random_r(&pcg32_global);
84+
}
85+
86+
uint32_t pcg32_boundedrand(uint32_t bound) {
87+
return pcg32_boundedrand_r(&pcg32_global, bound);
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}
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90+
double pcg32_frandom() {
91+
return ldexp(pcg32_random(), -32);
92+
}
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void pcg32_srandom(uint64_t seq) {
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pcg32_srandom_r(&pcg32_global, 42u, seq);
96+
}

‎clibs/pecos-rng/src/rng_pcg.h‎

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/*
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* PCG Random Number Generation for C.
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*
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* Copyright 2014 Melissa O'Neill <oneill@pcg-random.org>
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*
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* Licensed under the Apache License, Version 2.0 (the "License");
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* you may not use this file except in compliance with the License.
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* You may obtain a copy of the License at
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*
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* http://www.apache.org/licenses/LICENSE-2.0
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*
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* Unless required by applicable law or agreed to in writing, software
13+
* distributed under the License is distributed on an "AS IS" BASIS,
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* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
15+
* See the License for the specific language governing permissions and
16+
* limitations under the License.
17+
*
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* For additional information about the PCG random number generation scheme,
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* including its license and other licensing options, visit
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*
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* http://www.pcg-random.org
22+
*/
23+
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#pragma once
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#include <stdint.h>
27+
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#if __cplusplus
29+
extern "C" {
30+
#endif
31+
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uint32_t pcg32_random();
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uint32_t pcg32_boundedrand(uint32_t bound);
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double pcg32_frandom();
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void pcg32_srandom(uint64_t seq);
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#if __cplusplus
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}
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#endif

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