peclet 0.1.0__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
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Metadata-Version: 2.4
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Name: peclet
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Version: 0.1.0
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Summary: GPU-accelerated & parallel simulation of transport phenomena (CFD, DEM, Voronoi) — CPU family metapackage
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Project-URL: Homepage, https://github.com/computational-chemical-engineering/peclet
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Project-URL: Documentation, https://github.com/computational-chemical-engineering/peclet
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Author-email: Frank Peters <e.a.j.f.peters@gmail.com>
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License-Expression: MIT
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License-File: LICENSE
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Requires-Python: >=3.10
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Requires-Dist: peclet-dem==0.1.0
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Requires-Dist: peclet-flow==0.1.0
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Requires-Dist: peclet-morton==0.1.0
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Requires-Dist: peclet-voro==0.1.0
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Provides-Extra: mpi
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Requires-Dist: peclet-core==0.1.0; extra == 'mpi'
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Description-Content-Type: text/markdown
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# peclet
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A suite of codes for **simulation of transport phenomena** — Eulerian (CFD/Navier–Stokes), Lagrangian
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(DEM/particle packing) and mixed (Voronoi) methods — sharing one MPI **block domain decomposition**
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with efficient **asynchronous ghost-layer exchange**, **SDF**-described solids, a common **immersed
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boundary** methodology, **GPU** support, and **Python bindings**.
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The name nods to the [Péclet number](https://en.wikipedia.org/wiki/P%C3%A9clet_number) — the ratio of
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advective to diffusive transport, the dimensionless heart of transport phenomena.
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📖 **Documentation site:** <https://computational-chemical-engineering.github.io/peclet/> — the suite's front
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door (design docs + install/deployment guide + links to each code's Doxygen API). Built from `docs/`
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via MkDocs ([mkdocs.yml](mkdocs.yml)).
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This is an **umbrella repository**: each code is a git **submodule** (its own repo and history); this
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repo pins compatible commits and holds the shared design docs.
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## Clone
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```bash
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git clone --recursive git@github.com:computational-chemical-engineering/peclet.git
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# or, after a plain clone:
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git submodule update --init --recursive
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```
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## Layout
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| Submodule | Role |
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|-----------|------|
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| `core/` | **Shared infrastructure** (header-only C++20 + MPI, optional Kokkos): ORB block decomposition, async grid ghost-layer exchange + Lagrangian particle migration/ghosts, SDF geometry, VTI I/O. Every method depends on it. |
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| `flow/` | Eulerian **Kokkos** incompressible Navier–Stokes (porous media; staggered MAC grid + cut-cell IBM). Complete, validated, MPI-optional distributed solver on `core`; `pnm` is its pore-network-extraction module. |
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| `dem/` | Lagrangian **Kokkos + ArborX** DEM/XPBD particle packing. Full XPBD step with a validated distributed `step_mpi` (core particle halo). |
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| `voro/` | Mixed Lagrangian/Eulerian dynamic 3D Voronoi tessellation (header-only C++17; periodic & Lees–Edwards). |
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| `morton/` | Morton/Z-order spatial-index primitive — arithmetic directly in Morton space (header-only C++17 + BMI2/AVX-512, Python). |
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Both GPU codes are **Kokkos**-based; the same source runs on CUDA, HIP (AMD/LUMI), and OpenMP backends,
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chosen by the bootstrapped install prefix (`tools/bootstrap_deps.sh`). The reusable parts of the original
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`block_decomposer` prototype were extracted into `core/`.
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## Shared design docs
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`docs/` is the cross-code contract every method follows:
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[ARCHITECTURE](docs/ARCHITECTURE.md) · [CONVENTIONS](docs/CONVENTIONS.md) · [STYLE](docs/STYLE.md) ·
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[INTERFACES](docs/INTERFACES.md) · [ROADMAP](docs/ROADMAP.md) ·
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[PORTABILITY](docs/PORTABILITY.md). See `CLAUDE.md` for an agent-facing overview.
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## Install & run (Python)
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Everything ships under one **`peclet` namespace** — installable parts of one family:
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| PyPI package | Import | Role |
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|---|---|---|
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| `peclet-morton` | `peclet.morton` | Morton/Z-order spatial index |
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| `peclet-flow` | `peclet.flow` (+ `.pnm`) | Eulerian incompressible Navier–Stokes solver |
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| `peclet-dem` | `peclet.dem` | Lagrangian DEM/XPBD particle packing |
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| `peclet-voro` | `peclet.voro` | Dynamic Voronoi tessellation + mesh generator |
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| `peclet-core` | `peclet.core` (`.mpi`, `.amr`) | Shared infra (particle halo, AMR) — sdist only |
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| `peclet` | — | metapackage: `pip install peclet` pulls the CPU family |
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**Multicore CPU (OpenMP):** the compute packages ship **self-contained wheels** — `pip install peclet`
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(or an individual `pip install peclet-flow`) just works and runs multi-threaded (`OMP_NUM_THREADS`).
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**GPU (CUDA/HIP) and multi-rank MPI:** a portable binary wheel is impossible (arch × CUDA/ROCm × MPI-ABI),
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so you build the packages from source against a Kokkos prefix, or use a container. Because the backend
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(Serial / OpenMP / CUDA / HIP) is compiled in, you build for your hardware —
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[**docs/DEPLOYMENT.md**](docs/DEPLOYMENT.md) is the guide: the backend×MPI matrix, `pip install` recipes
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per environment, and **Apptainer containers** for Snellius (CUDA) and LUMI (HIP) in [`containers/`](containers).
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## Continuous integration & docs
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Each submodule carries its own `.github/workflows/`: a **CI** workflow (build + test where feasible —
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`core` and `morton` run full CPU/MPI suites; `flow` and `dem` build the Kokkos OpenMP host
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backend) and a **Documentation** workflow that builds the Doxygen API docs and publishes them to that
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repo's GitHub Pages. Enabling Pages once per repo (Settings → Pages → "Source: GitHub Actions") is the
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only manual step.
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## Note on submodule pins
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This umbrella pins each submodule to a compatible commit on `main`. Update to the latest upstream with
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`git submodule update --remote` followed by a commit here that bumps the pointers.
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peclet-0.1.0.dist-info/METADATA,sha256=2LwoQT_7ajd8p22WW3XIIFcfbFMpIrgRf0uWGRN2YFc,5444
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peclet-0.1.0.dist-info/WHEEL,sha256=mffPy8wBnZQn2VnJUU5jE99KsxaSfiyMHV9Yt0aLVxs,87
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peclet-0.1.0.dist-info/licenses/LICENSE,sha256=y1lAzZEZuBZvgvSMwte2O-Of5uGi9PGpeNTCHMMxTvU,1069
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peclet-0.1.0.dist-info/RECORD,,
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MIT License
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Copyright (c) 2026 Frank Peters
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Permission is hereby granted, free of charge, to any person obtaining a copy
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of this software and associated documentation files (the "Software"), to deal
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in the Software without restriction, including without limitation the rights
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to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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copies of the Software, and to permit persons to whom the Software is
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furnished to do so, subject to the following conditions:
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The above copyright notice and this permission notice shall be included in all
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copies or substantial portions of the Software.
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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SOFTWARE.
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