Add multipole bindings

.cargo/config.toml

@@ -1,2 +1,2 @@
-[target.'cfg(any(target_arch = "x86", target_arch = "x86_64", target_arch = "x64"))']
-rustflags = ["-C", "target-feature=+sse3,+ssse3,+sse4.1,+sse4.2,+popcnt,+cmpxchg16b,+avx,+avx2,+fma,+bmi1,+bmi2,+lzcnt,+pclmulqdq,+movbe"]
+[target.'cfg(any(target_arch = "x86_64", target_arch = "x64"))']
+rustflags = ["-C", "target-cpu=x86-64-v3"]

.github/workflows/release_python.yml

@@ -24,28 +24,112 @@ jobs:
         platform:
           - runner: ubuntu-22.04
             target: x86_64
+            maturin_args: --release --out dist --find-interpreter
           - runner: ubuntu-22.04
             target: x86
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
           - runner: ubuntu-22.04
             target: aarch64
+            maturin_args: --release --out dist --find-interpreter
           - runner: ubuntu-22.04
             target: armv7
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
           - runner: ubuntu-22.04
             target: s390x
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
           - runner: ubuntu-22.04
             target: ppc64le
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
     steps:
       - uses: actions/checkout@v4
+      - name: Mark workspace as safe for git
+        run: git config --global --add safe.directory "$GITHUB_WORKSPACE"
       - uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
       - name: Build wheels
         uses: PyO3/maturin-action@v1
+        env:
+          RUST_LOG: cc=debug
+          CARGO_TERM_VERBOSE: "true"
         with:
           target: ${{ matrix.platform.target }}
-          args: --release --out dist --find-interpreter --features=python
+          args: ${{ matrix.platform.maturin_args }}
           sccache: 'true'
-          manylinux: auto
+          manylinux: 2_28
+          before-script-linux: |
+            git config --global --add safe.directory /github/workspace
+            git config --global --add safe.directory /home/runner/work/cfsem-py/cfsem-py
+
+            if [ "${{ matrix.platform.target }}" = "aarch64" ]; then
+              export CC=clang
+              export CXX=clang++
+
+              # discover GCC version/triple inside the container
+              GCC_VER="$(gcc -dumpversion)"
+              GCC_TRIPLE="$(gcc -dumpmachine)"
+
+              export CXXFLAGS="--gcc-toolchain=/usr -stdlib=libstdc++ \
+                -isystem /usr/include/c++/${GCC_VER} \
+                -isystem /usr/include/c++/${GCC_VER}/${GCC_TRIPLE} \
+                -isystem /usr/include/c++/${GCC_VER}/backward"
+            fi
+
+            if [ "${{ matrix.platform.target }}" = "x86_64" ] || [ "${{ matrix.platform.target }}" = "aarch64" ]; then
+              echo "PATH=$PATH";
+              ls -la /usr/bin | grep -E 'dnf|microdnf|yum|apt|apk' || true;
+
+              # aarch64 runner is newer
+              if command -v dnf >/dev/null 2>&1; then
+                echo "Found dnf package manager";
+                dnf -y makecache;
+                dnf -y update;
+                dnf -y install --skip-broken clang lld gcc gcc-c++ libstdc++-devel openblas-devel || true;
+              fi
+
+              if command -v apt-get >/dev/null 2>&1; then
+                echo "Found apt-get package manager";
+                apt-get update;
+                apt-get install -y clang lld g++ libstdc++-12-dev libopenblas-dev || true;
+              fi
+
+              if command -v microdnf >/dev/null 2>&1; then
+                echo "Found microdnf package manager";
+                microdnf -y update;
+                microdnf -y install clang lld gcc gcc-c++ libstdc++-devel openblas-devel || true;
+              fi
+
+              # manylinux2014 runner is based on centos7
+              if command -v yum >/dev/null 2>&1; then
+                echo "Found yum package manager";
+                yum -y makecache;
+                yum -y update;
+                yum -y --setopt=skip_missing_names_on_install=True install --skip-broken clang lld gcc gcc-c++ libstdc++-devel openblas-devel || true;
+                yum -y --setopt=skip_missing_names_on_install=True install --skip-broken centos-release-scl || true;
+                yum -y --setopt=skip_missing_names_on_install=True install --skip-broken llvm-toolset-7 clang llvm-toolset-7-llvm gcc gcc-c++ libstdc++-devel openblas-devel || true;
+              fi
+
+              if [ -f /opt/rh/llvm-toolset-7/enable ]; then
+                source /opt/rh/llvm-toolset-7/enable
+              fi
+
+              if [ "${{ matrix.platform.target }}" = "aarch64" ]; then
+                # Clang on manylinux doesn't always discover libstdc++ headers without help.
+                export CC=clang
+                export CXX=clang++
+                export CXXFLAGS="--gcc-toolchain=/usr -stdlib=libstdc++"
+              fi
+
+              if ! command -v ld.lld >/dev/null 2>&1; then
+                echo "warning: ld.lld not found after install; continuing without it" >&2
+              fi
+            else
+              echo "Skipping linux before-script for target ${{ matrix.platform.target }}"
+            fi
+      - name: Install auditwheel
+        run: python -m pip install auditwheel
+      - name: Repair wheels
+        run: bindings/repair_wheel.sh dist
       - name: Upload wheels
         uses: actions/upload-artifact@v4
         with:
@@ -60,24 +144,34 @@ jobs:
         platform:
           - runner: ubuntu-22.04
             target: x86_64
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
           - runner: ubuntu-22.04
             target: x86
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
           - runner: ubuntu-22.04
             target: aarch64
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
           - runner: ubuntu-22.04
             target: armv7
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
     steps:
       - uses: actions/checkout@v4
+      - name: Mark workspace as safe for git
+        run: git config --global --add safe.directory "$GITHUB_WORKSPACE"
       - uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
       - name: Build wheels
         uses: PyO3/maturin-action@v1
         with:
           target: ${{ matrix.platform.target }}
-          args: --release --out dist --find-interpreter --features=python
+          args: ${{ matrix.platform.maturin_args }}
           sccache: 'true'
           manylinux: musllinux_1_2
+      - name: Install auditwheel
+        run: python -m pip install auditwheel
+      - name: Repair wheels
+        run: bindings/repair_wheel.sh dist
       - name: Upload wheels
         uses: actions/upload-artifact@v4
         with:
@@ -92,20 +186,55 @@ jobs:
         platform:
           - runner: windows-latest
             target: x64
+            maturin_args: --release --out dist --find-interpreter
           - runner: windows-latest
             target: x86
+            maturin_args: --release --out dist --find-interpreter --no-default-features --features=python
     steps:
       - uses: actions/checkout@v4
+      - name: Mark workspace as safe for git
+        run: git config --global --add safe.directory "$GITHUB_WORKSPACE"
+      - name: Initialize submodules
+        run: git submodule update --init --recursive --depth 1
       - uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
           architecture: ${{ matrix.platform.target }}
+      - name: Install OpenBLAS (windows)
+        shell: pwsh
+        run: |
+          $triplet = if ("${{ matrix.platform.target }}" -eq "x86") { "x86-windows" } else { "x64-windows" }
+          & "C:\vcpkg\vcpkg.exe" install "openblas:$triplet"
+          "CMAKE_PREFIX_PATH=C:\vcpkg\installed\$triplet" | Out-File -FilePath $env:GITHUB_ENV -Append
       - name: Build wheels
         uses: PyO3/maturin-action@v1
+        env:
+          RUST_LOG: cc=debug
+          CARGO_TERM_VERBOSE: "true"
         with:
           target: ${{ matrix.platform.target }}
-          args: --release --out dist --find-interpreter --features=python
+          args: ${{ matrix.platform.maturin_args }}
           sccache: 'true'
+      - name: Dump Boost b2 logs (on failure)
+        if: failure()
+        shell: pwsh
+        run: |
+          Get-ChildItem -Recurse -Filter b2.log -Path target | ForEach-Object {
+            Write-Host "=== $($_.FullName) ==="
+            Write-Host "=== $($_.FullName) (head 200) ==="
+            Get-Content $_.FullName -TotalCount 200
+            Get-Content $_.FullName -Tail 5000
+            Write-Host "=== $($_.FullName) (error scan) ==="
+            Get-Content $_.FullName | Select-String -CaseSensitive -Pattern 'error','failed','LNK','fatal' -Context 2,2 | Select-Object -Last 200
+          }
+          Get-ChildItem -Recurse -Path target -Include *.err,*.log | ForEach-Object {
+            Write-Host "=== $($_.FullName) ==="
+            Get-Content $_.FullName -Tail 200
+          }
+      - name: Install delvewheel
+        run: python -m pip install delvewheel
+      - name: Repair wheels
+        run: bindings/repair_wheel.sh dist
       - name: Upload wheels
         uses: actions/upload-artifact@v4
         with:
@@ -121,19 +250,28 @@ jobs:
           - runner: macos-15-intel
             target: x86_64
             # macos-15 runner is arm64
+            maturin_args: --release --out dist --find-interpreter
           - runner: macos-15
             target: aarch64
+            maturin_args: --release --out dist --find-interpreter
     steps:
       - uses: actions/checkout@v4
       - uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
       - name: Build wheels
         uses: PyO3/maturin-action@v1
+        env:
+          RUST_LOG: cc=debug
+          CARGO_TERM_VERBOSE: "true"
         with:
           target: ${{ matrix.platform.target }}
-          args: --release --out dist --find-interpreter --features=python
+          args: ${{ matrix.platform.maturin_args }}
           sccache: 'true'
+      - name: Install delocate
+        run: python -m pip install delocate
+      - name: Repair wheels
+        run: bindings/repair_wheel.sh dist
       - name: Upload wheels
         uses: actions/upload-artifact@v4
         with:
@@ -144,6 +282,10 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v4
+      - name: Mark workspace as safe for git
+        run: git config --global --add safe.directory "$GITHUB_WORKSPACE"
+      - name: Initialize submodules
+        run: git submodule update --init --recursive --depth 1
       - name: Build sdist
         uses: PyO3/maturin-action@v1
         with:

.github/workflows/test_python.yml

@@ -10,24 +10,31 @@ on:
   push:
     branches: [ "main", "develop", "release" ]
   workflow_dispatch:
-    tag: "Manual Run"
   workflow_call:
 
 jobs:
   build:
     runs-on: ubuntu-22.04
-    timeout-minutes: 15
+    timeout-minutes: 45
     strategy:
       matrix:
         python-version: ['3.10', '3.11', '3.12', '3.13']
 
     steps:
 
     - uses: actions/checkout@v4
+    - name: Mark workspace as safe for git
+      run: git config --global --add safe.directory "$GITHUB_WORKSPACE"
+
+    - name: Initialize submodules
+      run: git submodule update --init --recursive --depth 1
 
     - name: Install Rust toolchain
       uses: dtolnay/rust-toolchain@stable
 
+    - name: Install Linux build deps
+      run: sudo apt-get update && sudo apt-get install -y clang lld libstdc++-12-dev libopenblas-dev
+
     - name: Install uv
       uses: astral-sh/setup-uv@v5
       with:
@@ -47,7 +54,7 @@ jobs:
         uv run --locked ruff format ./cfsem --check
         uv run --locked pyright ./cfsem --pythonversion 3.10
         uv run --locked coverage run --source=./cfsem -m pytest ./test/
-        uv run --locked coverage report
+        uv run --locked coverage report -m
 
         # Build docs
         sh build_docs.sh

.github/workflows/test_rust.yml

@@ -18,6 +18,8 @@ jobs:
 
     steps:
     - uses: actions/checkout@v4
+    - name: Install Linux build deps
+      run: sudo apt-get update && sudo apt-get install -y clang lld libstdc++-12-dev
     - name: Install Rust toolchain
       uses: dtolnay/rust-toolchain@stable
     - name: Format

.gitignore

@@ -78,4 +78,7 @@ target
 site
 
 examples/*.png
-docs/python/example_outputs/*.png
+docs/python/example_outputs/*.png
+
+# Vendored code and build artefacts
+vendor/armadillo-15.2.3/

.gitmodules

@@ -0,0 +1,15 @@
+[submodule "vendor/boost-boost-1.90.0"]
+	path = vendor/boost-boost-1.90.0
+	url = https://github.com/boostorg/boost
+[submodule "vendor/jsoncpp"]
+	path = vendor/jsoncpp
+	url = https://github.com/open-source-parsers/jsoncpp.git
+[submodule "vendor/tclap"]
+	path = vendor/tclap
+	url = https://github.com/mirror/tclap.git
+[submodule "vendor/rat-common"]
+	path = vendor/rat-common
+	url = https://gitlab.com/Project-Rat/rat-common.git
+[submodule "vendor/rat-mlfmm"]
+	path = vendor/rat-mlfmm
+	url = https://gitlab.com/Project-Rat/rat-mlfmm.git

CHANGELOG.md

@@ -1,5 +1,25 @@
 # Changelog
 
+## 4.0.0 2025-01-16
+
+### Added
+
+* Add `mlfmm` module with limited bindings to Project Rat's multipole methods for B-field and A-field
+  * Exposed as `cfsem::mlfmm::fields_linear_filament_mlfmm` when `rat-mlfmm` feature is enabled
+  * Add vendored dependencies and thin C FFI to support those bindings
+  * Available on Windows, linux, and macOS only; disabled on other platforms
+* !Remove `flux_density_biot_savart` backwards-compatibility alias
+* !Upgrade `flux_density_linear_filament`, `vector_potential_linear_filament`, and `body_force_density_linear_filament` functions
+  * Now handle finite wire length and finite wire thickness analytically
+  * New `wire_radius` input
+  * Removed mixed-precision section from flux density calculation in favor of all f64; this no longer affects overall throughput
+    * For both linear_filament and point_segment variants
+  * Old point-source segment formulations moved to `point_source::segment` module and available as `flux_density_point_segment` and `vector_potential_point_segment` functions
+* Add `biot_savart.py` and `vector_potential.py` examples with plots comparing linear filament, point segment, and multipole calcs 
+* Improve parallelism heuristics
+    * Minimum chunk size of 1024
+    * Use half of available parallelism as heuristic for physical cores
+
 ## 3.1.0 2025-12-19
 
 ### Added