Wakis v0.6.1

Wakis v0.6.1

This release introduces major improvements to performance and usability: running single-precision simulations allowing x100 speedup on mid-range GPUs, MKL backend integration for multithreaded time-stepping (sparse-matrix times vector operations), adaptive mesh refinement (first steps, WIP), STEP geometry unit extraction and scaling and more robust parsing, added IDDEFIX wrapper for streamlined simulation extrapolation, and updated interactive 3D visualization tools of imported solids with widgets. It also enhances multi-GPU compatibility, and testing workflows.

🚀 New Features

• 🧱 SolverFIT3D

  • Performed data-type tracking to enable running single-precision simulations on both CPU and GPU simply by passing dtype=np.float32 to solver constructor.
  • Added MKL backend for optimized CPU computations, with automatic fallback if unavailable.
  • Introduced environment variable to control MKL threads and improved sparse matrix–vector operations.
  • Added callback function argument (fun(solver, t)) executed after each timestep for flexible simulation monitoring.
  • Implemented absorbing boundary conditions (ABC) for EM simulations with updated testing routine.
  • Added single-precision support for solver initialization and data type tracking.

• ⚙️ Mesh Refinement

  • Introduced adaptive mesh refinement based on OpenFOAM's snappy hexmesh with automatic CFL-stable grid recalculation - Work in progress
  • Added example notebook_006 showcasing refined mesh simulation.

• 🪶 Geometry & CAD Tools

  • Added unit extraction from STEP files and automatic STL scaling to meters.
  • geometry.load_stp() now supports file paths and lowercased material names for consistency.
  • Added tests for geometry unit handling and material case normalization.

• 🎛️ Visualization

  • Added interactive inspect3D visualization supporting both PyVista and Matplotlib backends.
  • Introduced new plot_stl_mask() tool with interactive 3D sliders to visualize solid occupancy in the computational domain.
  • Added offscreen plotting support for headless servers (export to HTML).

• 🌊 WakeSolver

  • Added on-the-fly wake potential computation and IDDEFIX wrapper for wake extrapolation.
  • Improved extrapolated wake consistency with CST/Wakis conventions.
  • Implemented wakelength attribute loading when using load_results().

• 🧩 Miscellaneous

  • Enhanced GPU/CPU integration — unified timestepping (one_step) and backend detection.
  • Enabled multi-GPU test cases and performance optimizations.

💗 Other Tag Highlights

• 🔁 Tests

  • Added GitHub Action to trigger tests automatically on PR open or sync.
  • Added MKL vs SciPy backend tests and hardware info retrieval (threads, sockets, affinity).
  • Added test coverage for geometry scaling, lowercase material import, and ABC boundary handling.

• 📚 Documentation

  • Updated multi-GPU and MKL installation guides.
  • Added CSG geometry and PyVista snippets to the User’s Guide.
  • Refined Physics Guide, improved clarity on SI base units.
  • Added SWAN badge, DOI, and tutorial repo to README.
  • Simplified issue and feature request templates for contributors.

• ⚙️ Build & Compatibility

  • Ensured NumPy 2.0+ compatibility.
  • Upgraded PyVista dependency to enable | (union) operator for CSG modeling.

🐛 Bugfixes

• Fixed crash in GPU memory pinning and added to_gpu() routine for reliable field transfer.
• Fixed axis allocation in grid and tensors inspect().
• Fixed robustness of load_results() to ensure trailing slash consistency and automatic loading of simulated wakelength.
• Corrected transverse impedance save to logfile.
• Fixed synchronization in MKL backend initialization when GPU is disabled.
• Fixed minor doc typos and link issues (e.g. WSL installation link).
• Fixed nightly test failures caused by lowercase material names.

👋👩‍💻 New Contributors

• @elleanor-lamb made their first contribution in #17
• @Antoniahuber made their first contribution in #20
  • @Antoniahuber — Implemented geometry unit extraction, STL scaling, material normalization, and related tests.
  • @Elleanor-Lamb — Added Frequency domain monitors and possibility of having 2 counter-rotating beams. Updated documentation for HTCondor and GPU installation.

📝 Full changelog

Full Changelog: v0.6.0...v0.6.1

83 commits	📚 Docs	🧪 Tests	🐛 Fixes	🎨 Style	✨ Features	Other
% of Commits	26.5%	10.8%	9.6%	8.4%	35.0%	9.7%

• 2025-11-04 test: added action to trigger tests on PR open or sync (elenafuengar)
• 2025-11-04 Allow lists as color inputs --> merge #28 from Antoniahuber/main (Elena de la Fuente García)
• 2025-11-03 Allow lists as color inputs (Antonia Huber)
• 2025-10-31 feature: extract units from STEP file and scale the generated STL geometry to be in meters --> Merge pull request #27 from Antoniahuber/main (Elena de la Fuente García)
• 2025-10-31 Added possibility to give a filepath to stl-files (Antonia Huber)
• 2025-10-31 Merge pull request #1 from Antoniahuber/Documentation-Change-geometry Scale units function (Antoniahuber)
• 2025-10-31 units Test (Antoniahuber)
• 2025-10-31 Update test_006_geometry_utils.py (Antoniahuber)
• 2025-10-30 Test for units function (Antoniahuber)
• 2025-10-30 Merge branch 'ImpedanCEI:main' into Documentation-Change-geometry (Antoniahuber)
• 2025-10-30 bugfix: fixing nightly test failing after lowercase fix --> merge #26 from Antoniahuber/main (Elena de la Fuente García)
• 2025-10-30 lowercaseInRightFunction.py (Antoniahuber)
• 2025-10-30 Merge branch 'ImpedanCEI:main' into main (Antoniahuber)
• 2025-10-30 Test function for lowercase materials (Antoniahuber)
• 2025-10-28 bugfix: ensure material in lower case + docs: minor fixes #20 (Elena de la Fuente García)
• 2025-10-28 Update geometry.py (Antoniahuber)
• 2025-10-21 Recognize unit in .stp file, completed docstring, converts materialnames to lowercase (Antoniahuber)
• 2025-10-20 Import materials from .stp in lowercase (Antoniahuber)
• 2025-10-20 Added commas in usersguide (Antoniahuber)
• 2025-10-17 style: simplify feature request template (elenafuengar)
• 2025-10-17 style: simplify issue template (elenafuengar)
• 2025-09-26 style: added call to inspect3D, allowing to visualize interactively in 3d the material tensors or electromagnetic fields (elenafuengar)
• 2025-09-26 feature: enhance inspect3D method to support interactive visualization with PyVista and Matplotlib backends (elenafuengar)
• 2025-09-26 feature: fix slider rendering to save the slider bounds after every callback (elenafuengar)
• 2025-09-25 style: add new plot_stl_mask method to the notebook (elenafuengar)
• 2025-09-25 feature: plot_stl_mask to show the cells occupied by a certain solid in the computational domain. The plot is interactive with 3 sliders in x, y, z (elenafuengar)
• 2025-09-22 WIP: gradient based extraction of solid boundaries for SIBC (elenafuengar)
• 2025-08-20 feature: load wakelength attr when using load_results -needed for extrapolation (elenafuengar)
• 2025-08-20 docs: update multi-gpu from notebooks guide (elenafuengar)
• 2025-08-20 fix: add flag not on GPU for the MKL backend (elenafuengar)
• 2025-08-20 style: include results in notebook 005, run on multi-gpu (elenafuengar)
• 2025-08-14 style: revision of notebook 005, added lines for multi-GPU, use iddefix wrappers for extrapolation (elenafuengar)
• 2025-08-14 docs: add MKL installation and customization instructions (elenafuengar)
• 2025-08-13 tests: retrieve num sockets and cores from lscpu for omp num threads + mem. pinning via KMP affinity (elenafuengar)
• 2025-08-13 tests: add MKL vs scipy test (elenafuengar)
• 2025-08-13 docs: add SWAN badge and tutorial repo to readme (elenafuengar)
• 2025-08-12 refact: one_step routine to private, GPU/CPU share same routine (elenafuengar)
• 2025-08-12 feature: adding MKL backend, refact:one_step routine assignment handled inside init (elenafuengar)
• 2025-08-12 feature: WIP on-the-fly wake potential calculation (elenafuengar)
• 2025-08-12 build: compatibility with numpy2.0+ (elenafuengar)
• 2025-08-12 refactor: one_step func assignment is handled inside solverFIT3D (elenafuengar)
• 2025-08-12 fix: bug in to_gpu() routine, bug in inspect() when allocating the axes, enforcing memory pinning in fromarray() (elenafuengar)
• 2025-08-08 feature: speedup by avoiding sparse diag operations during timestepping (elenafuengar)
• 2025-08-08 feature: Add number of threads env variable for MKL backend (elenafuengar)
• 2025-08-08 feature: MKL backend working and added to routines -will be used if it can be imported (elenafuengar)
• 2025-08-08 feature: WIP, explore multithreaded sparsemat-vec operation using MKL backend for scipy (elenafuengar)
• 2025-08-08 feature: add option for grid plotting offscreen for headless-servers. It exports the scene to html file instead (elenafuengar)
• 2025-08-05 test: implementing the 2-timestep ABC BCs and testing with against a planewave (WIP) (elenafuengar)
• 2025-08-05 fix: allow to pass custom transverse slices to WavePacket (elenafuengar)
• 2025-08-05 feature: add callback arg that allows to pass a custom function in the form fun(solver, t) right after the timestep update (elenafuengar)
• 2025-08-04 feature: ABC boundaries implemented in the emsolve routine for testing (elenafuengar)
• 2025-08-04 feature: WIP updated version of the ABC boundaries (elenafuengar)
• 2025-07-25 feature: data type tracking to enable passing desired precision to solverFIT3D constructor -> support for single-precision simulations! (elenafuengar)
• 2025-07-25 fix: add extra check for field on gpu when calling inspect (elenafuengar)
• 2025-07-25 tests: update 006 to new key naming convention (elenafuengar)
• 2025-07-23 feature: working simlation with mesh refinement -WIP (elenafuengar)
• 2025-07-23 style: revision of 004 notebook (elenafuengar)
• 2025-07-23 feature: improved STEP file parsing to avoid buffering the stp file but instead regex line-by-line (elenafuengar)
• 2025-07-23 fix: make load_results func more robust by adding end slash if the name does not end with it (elenafuengar)
• 2025-07-22 feature: recalculate mesh spacing after refinement to improve cfl stability + WIP notebook 006 (elenafuengar)
• 2025-07-22 feature: add notebook 006 to showcase/test mesh refinement (WIP) (elenafuengar)
• 2025-07-22 feature: mesh refinement bug fixes, got first simulation running! (elenafuengar)
• 2025-07-22 feature: used newly implemented IDDEFIX wrapper functions to extrapolated the simulated wake (elenafuengar)
• 2025-07-22 refact: splitted DE model fitting and added new functions to retrieve extrapolated wake potential, function and impedance -applying convention and unit changes to be consistent with Wakis/CST (elenafuengar)
• 2025-07-22 feature: finalized first version of mesh refinement (elenafuengar)
• 2025-07-22 docs: emphazise on inputs units - Wakis always uses SI base units (elenafuengar)
• 2025-07-22 Merge pull request #17 from elleanor-lamb/gpu_docs_update (Elena de la Fuente García)
• 2025-07-22 updated docs (Elleanor Lamb)
• 2025-07-22 updated docs for HTCondor (Elleanor Lamb)
• 2025-07-22 feature: wrapping function for easy wake extrapolation using IDDEFIX (elenafuengar)
• 2025-07-22 fix: bug in transverse impedance save to logfile (elenafuengar)
• 2025-07-15 docs: minor fizes in physics guide and releases (elenafuengar)
• 2025-07-03 fix: broken link for WSL installation (elenafuengar)
• 2025-06-30 docs: add release notes to docs and modify index (elenafuengar)
• 2025-06-30 feature: first steps towards smart snappy grid (elenafuengar)
• 2025-06-19 build: upgrade PyVista version to enable use of | (union) operator for CSG modelling (elenafuengar)
• 2025-06-20 feat: add error handling for Nz<N_mpi_proc + more verbose output about MPI domain splitting (elenafuengar)
• 2025-06-11 docs: polish installatio guide for Windows (elenafuengar)
• 2025-06-05 docs: add CSG geometry to the users guide + pyvista code snippet (elenafuengar)
• 2025-05-27 docs: update README with v0.6.0 features and DOI (elenafuengar)