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peclet v0.1.0 — first public release

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@eajfpeters eajfpeters released this 02 Jul 06:21
· 492 commits to main since this release
v0.1.0
c424995

First public release of peclet — a suite of GPU-accelerated, MPI-parallel codes for transport phenomena (CFD, DEM, Voronoi), on a shared Kokkos + block-decomposition foundation. MIT licensed.

Install (Python)

pip install peclet          # CPU (OpenMP) family: peclet-flow + peclet-dem + peclet-voro + peclet-morton

All six packages are on PyPI: peclet-core, peclet-flow, peclet-dem, peclet-voro, peclet-morton, and the peclet metapackage.

Highlights

  • peclet.flow — incompressible cut-cell IBM Navier–Stokes on a staggered MAC grid, with a distributed (MPI) multi-rank solver exposed to Python.
  • peclet.dem — XPBD discrete-element packing + distributed step.
  • peclet.voro — dynamic Voronoi tessellation + distributed VoronoiHalo.
  • peclet.core — the shared MPI halo + AMR octree; peclet.morton — Morton/Z-order arithmetic.
  • Kokkos backends (OpenMP / CUDA / HIP); the CPU build ships as self-contained wheels.

HPC containers (GHCR)

Apptainer images for Snellius (peclet-cuda:0.1.0-sm80/-sm90) and multi-node CPU / TU/e SMM (peclet-cpu:0.1.0), with per-site MPI bind wrappers + SLURM submit scripts and a weak-scaling benchmark (benchmarks/). The LUMI/HIP image is WIP (a hipcc/lld link issue). See the Containers docs.

Docs

https://computational-chemical-engineering.github.io/peclet/

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