burnman-cpp 0.2.0__tar.gz → 0.4.0__tar.gz

burnman_cpp-0.4.0/.github/workflows/wheels.yml

@@ -0,0 +1,68 @@
+name: Wheels
+
+on:
+  pull_request:
+    paths:
+      - CMakeLists.txt
+      - pyproject.toml
+      - src/**
+      - include/**
+      - python/**
+      - tools/build_wheel_dependencies.py
+      - .github/workflows/wheels.yml
+  push:
+    tags: ["v*"]
+  workflow_dispatch:
+
+permissions:
+  contents: read
+
+defaults:
+  run:
+    shell: bash
+
+jobs:
+  sdist:
+    runs-on: ubuntu-24.04
+    steps:
+      - uses: actions/checkout@v7
+        with:
+          persist-credentials: false
+      - uses: actions/setup-python@v7
+        with:
+          python-version: "3.12"
+      - run: python -m pip install build twine
+      - run: python -m build --sdist
+      - run: python -m twine check --strict dist/*
+      - uses: actions/upload-artifact@v7
+        with:
+          name: sdist
+          path: dist/*.tar.gz
+
+  wheels:
+    needs: sdist
+    timeout-minutes: 90
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-24.04, ubuntu-24.04-arm, macos-15, macos-15-intel]
+    runs-on: ${{ matrix.os }}
+    env:
+      # Pull requests test each architecture; releases/manual runs build every ABI.
+      CIBW_BUILD: ${{ github.event_name == 'pull_request' && 'cp312-*' || 'cp3{10,11,12,13,14,15}-*' }}
+      CIBW_ARCHS: native
+    steps:
+      - uses: actions/download-artifact@v7
+        with:
+          name: sdist
+          path: dist
+      - uses: actions/setup-python@v7
+        with:
+          python-version: "3.12"
+      - run: python -m pip install cibuildwheel==4.3.1
+      # Build from the archive users receive, not from a developer checkout.
+      - run: python -m cibuildwheel dist/*.tar.gz --output-dir wheelhouse
+      - uses: actions/upload-artifact@v7
+        with:
+          name: wheels-${{ matrix.os }}
+          path: wheelhouse/*.whl

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/.gitignore

@@ -22,6 +22,7 @@ __pycache__/
 *.egg-info/
 .pytest_cache/
 dist/
+wheelhouse/
 
 # Output files
 examples/*_output/

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/CMakeLists.txt

@@ -9,7 +9,11 @@ if(APPLE AND NOT DEFINED CMAKE_OSX_DEPLOYMENT_TARGET AND
   set(CMAKE_OSX_DEPLOYMENT_TARGET "${BURNMAN_HOST_MACOS_VERSION}"
       CACHE STRING "Minimum supported macOS version")
 endif()
-project(burnman_cpp VERSION 0.1.0 LANGUAGES CXX)
+# Keep the installed package metadata and native __version__ in agreement.
+file(STRINGS "${CMAKE_CURRENT_SOURCE_DIR}/pyproject.toml" BURNMAN_VERSION_LINE
+     REGEX "^version = ")
+string(REGEX MATCH "[0-9]+\\.[0-9]+\\.[0-9]+" BURNMAN_VERSION "${BURNMAN_VERSION_LINE}")
+project(burnman_cpp VERSION ${BURNMAN_VERSION} LANGUAGES CXX)
 
 option(BURNMAN_BUILD_PYTHON "Build the Python extension" ON)
 option(BURNMAN_BUILD_TESTS "Build the C++ unit tests" OFF)
@@ -31,6 +35,11 @@ function(burnman_compiler_warnings target)
 endfunction()
 
 # Let CMake find standard Homebrew installations as well as system packages.
+set(BURNMAN_WHEEL_DEPENDENCIES "" CACHE PATH "Private prefix for wheel dependencies")
+if(BURNMAN_WHEEL_DEPENDENCIES)
+  list(PREPEND CMAKE_PREFIX_PATH "${BURNMAN_WHEEL_DEPENDENCIES}")
+  set(GSL_ROOT_DIR "${BURNMAN_WHEEL_DEPENDENCIES}")
+endif()
 if(APPLE)
   list(APPEND CMAKE_PREFIX_PATH /opt/homebrew /usr/local)
 endif()
@@ -77,6 +86,13 @@ if(BURNMAN_BUILD_PYTHON)
   target_compile_definitions(_core PRIVATE BURNMAN_VERSION="${PROJECT_VERSION}")
   burnman_compiler_warnings(_core)
   install(TARGETS _core LIBRARY DESTINATION burnman_cpp RUNTIME DESTINATION burnman_cpp)
+  if(BURNMAN_WHEEL_DEPENDENCIES)
+    # Let the wheel repair tool find libraries that use relative install names.
+    set_target_properties(_core PROPERTIES
+                          INSTALL_RPATH "${BURNMAN_WHEEL_DEPENDENCIES}/lib")
+    install(DIRECTORY "${BURNMAN_WHEEL_DEPENDENCIES}/share/licenses/"
+            DESTINATION burnman_cpp/native_licenses)
+  endif()
 endif()
 
 if(BURNMAN_BUILD_TESTS OR BURNMAN_BUILD_BENCHMARKS)

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/PKG-INFO

@@ -1,16 +1,18 @@
 Metadata-Version: 2.4
 Name: burnman_cpp
-Version: 0.2.0
+Version: 0.4.0
 Summary: Python bindings for the BurnMan C++ mineral physics library
 Author-Email: The BurnMan Team <bob.myhill@bristol.ac.uk>
 License-Expression: GPL-3.0-or-later
 License-File: LICENSE
-Classifier: Operating System :: OS Independent
+Classifier: Operating System :: MacOS :: MacOS X
+Classifier: Operating System :: POSIX :: Linux
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
 Classifier: Programming Language :: Python :: 3.12
 Classifier: Programming Language :: Python :: 3.13
 Classifier: Programming Language :: Python :: 3.14
+Classifier: Programming Language :: Python :: 3.15
 Requires-Python: >=3.10
 Requires-Dist: numpy>=1.23
 Requires-Dist: scipy>=1.9
@@ -46,7 +48,22 @@ Python authors (as of 2025, from the [BurnMan README](https://github.com/geodyna
 * Juliane Dannberg
 * Rene Gassmoeller
 
-## Requirements
+## Installation
+
+### Published Python wheels
+
+Install the published package with:
+
+```sh
+python -m pip install --upgrade pip
+python -m pip install burnman_cpp
+```
+
+If no matching wheel is available, pip builds from source and needs the dependencies below.
+
+### Building from source
+
+Source builds require:
 
 - A C++17 compiler, such as GCC or Clang.
 - CMake 3.18 or newer.
@@ -55,10 +72,6 @@ Python authors (as of 2025, from the [BurnMan README](https://github.com/geodyna
 - Python 3.10 or newer and its development headers for the Python package.
 - Catch2 3.4 or newer for C++ tests and benchmarks.
 
-## Installation
-
-### Native dependencies
-
 On Ubuntu:
 
 ```sh
@@ -75,8 +88,6 @@ xcode-select --install
 brew install python cmake eigen gsl nlopt cddlib gmp catch2
 ```
 
-### Python package
-
 Clone the repository:
 
 ```sh

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/README.md

@@ -22,7 +22,22 @@ Python authors (as of 2025, from the [BurnMan README](https://github.com/geodyna
 * Juliane Dannberg
 * Rene Gassmoeller
 
-## Requirements
+## Installation
+
+### Published Python wheels
+
+Install the published package with:
+
+```sh
+python -m pip install --upgrade pip
+python -m pip install burnman_cpp
+```
+
+If no matching wheel is available, pip builds from source and needs the dependencies below.
+
+### Building from source
+
+Source builds require:
 
 - A C++17 compiler, such as GCC or Clang.
 - CMake 3.18 or newer.
@@ -31,10 +46,6 @@ Python authors (as of 2025, from the [BurnMan README](https://github.com/geodyna
 - Python 3.10 or newer and its development headers for the Python package.
 - Catch2 3.4 or newer for C++ tests and benchmarks.
 
-## Installation
-
-### Native dependencies
-
 On Ubuntu:
 
 ```sh
@@ -51,8 +62,6 @@ xcode-select --install
 brew install python cmake eigen gsl nlopt cddlib gmp catch2
 ```
 
-### Python package
-
 Clone the repository:
 
 ```sh

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "scikit_build_core.build"
 
 [project]
 name = "burnman_cpp"
-version = "0.2.0"
+version = "0.4.0"
 authors = [{name = "The BurnMan Team", email = "bob.myhill@bristol.ac.uk"}]
 description = "Python bindings for the BurnMan C++ mineral physics library"
 readme = "README.md"
@@ -13,12 +13,14 @@ license = "GPL-3.0-or-later"
 license-files = ["LICENSE"]
 dependencies = ["numpy>=1.23", "scipy>=1.9"]
 classifiers = [
-    "Operating System :: OS Independent",
+    "Operating System :: MacOS :: MacOS X",
+    "Operating System :: POSIX :: Linux",
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
     "Programming Language :: Python :: 3.12",
     "Programming Language :: Python :: 3.13",
     "Programming Language :: Python :: 3.14",
+    "Programming Language :: Python :: 3.15",
 ]
 
 [project.optional-dependencies]
@@ -36,6 +38,7 @@ sdist.include = [
   "/python/bindings/*.cpp", "/python/bindings/*.hpp",
   "/python/burnman_cpp/**/*.py", "/python/tests/*.py", "/examples/*.py",
   "/tools/export_example_minerals.py",
+  "/tools/build_wheel_dependencies.py",
 ]
 sdist.exclude = [".venv/**", "build/**", "bin/**", "*.csv", "benchmark-report.xml", "**/__pycache__/**"]
 
@@ -44,3 +47,19 @@ testpaths = ["python/tests"]
 
 [tool.black]
 target-version = ["py310"]
+
+[tool.cibuildwheel]
+build = "cp3{10,11,12,13,14,15}-*"
+skip = "*-musllinux_* *-win*"
+test-extras = ["test"]
+test-command = "python -m pytest {project}/python/tests/test_wheel_metadata.py {project}/python/tests/test_bindings.py {project}/python/tests/test_equilibration.py {project}/python/tests/test_stable_equilibrium.py {project}/python/tests/test_polytope.py -q"
+
+[tool.cibuildwheel.linux]
+manylinux-x86_64-image = "manylinux_2_28"
+manylinux-aarch64-image = "manylinux_2_28"
+before-all = "dnf install -y autoconf automake libtool && python3 {project}/tools/build_wheel_dependencies.py --prefix /tmp/burnman-wheel-deps"
+environment = { CC="gcc", CXX="g++", CFLAGS="", CXXFLAGS="", LDFLAGS="", CMAKE_ARGS="-DBURNMAN_WHEEL_DEPENDENCIES=/tmp/burnman-wheel-deps", CMAKE_BUILD_PARALLEL_LEVEL="2" }
+
+[tool.cibuildwheel.macos]
+before-all = "brew install autoconf automake libtool && python3 {project}/tools/build_wheel_dependencies.py --prefix /tmp/burnman-wheel-deps"
+environment = { CC="clang", CXX="clang++", CFLAGS="", CXXFLAGS="", LDFLAGS="", MACOSX_DEPLOYMENT_TARGET="11.0", CMAKE_ARGS="-DBURNMAN_WHEEL_DEPENDENCIES=/tmp/burnman-wheel-deps", CMAKE_BUILD_PARALLEL_LEVEL="2" }

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/python/tests/test_phase_diagram.py

@@ -410,7 +410,8 @@ def test_resume_refines_curved_chords_only_when_resolution_is_requested():
         assert p.residual < 0.01
 
 
-def test_resume_removes_a_verified_retraced_part_of_a_curved_boundary():
+@pytest.mark.parametrize("reverse_order", [False, True])
+def test_resume_removes_a_verified_retraced_part_of_a_curved_boundary(reverse_order):
     phases = curved_phases()
     opts = settings()
     opts.max_recovery_passes = 0
@@ -430,10 +431,12 @@ def test_resume_removes_a_verified_retraced_part_of_a_curved_boundary():
         line,
         id=1,
         end_node=line["start_node"],
-        points=[original[0], original[3], original[0]],
+        points=original[:6] + original[4::-1],
         termination="junction; junction",
     )
     saved["boundaries"].append(duplicate)
+    if reverse_order:
+        saved["boundaries"].reverse()
     saved["resolved"] = False  # Request repair of the injected retrace.
     assert not any(
         p.has_open_boundary for p in bm.phase_diagram_field_polygons(saved).polygons

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/python/tests/test_phase_diagram_line_resolution.py

@@ -20,6 +20,7 @@ import runpy
 
 import numpy as np
 import pytest
+from scipy.linalg import qr
 import burnman_cpp as bm
 from conftest import oxide_params
 from test_phase_diagram import crossing_phases, curved_phases, pure, settings
@@ -454,13 +455,38 @@ def test_equivalent_univariant_extents_need_a_verified_root_not_every_warm_start
 
 
 @pytest.mark.parametrize("reverse", [False, True])
+@pytest.mark.parametrize("different_faces", [False, True])
 @pytest.mark.parametrize(
     "fixture", ["model_limit_duplicates", "cold_reaction_duplicates"]
 )
-def test_equivalent_reactions_can_end_at_separate_model_limit_records(reverse, fixture):
+def test_equivalent_reactions_can_end_at_separate_model_limit_records(
+    reverse, different_faces, fixture
+):
     data = json.loads(
         (Path(__file__).parent / f"data/pyrolite_pt_{fixture}.json").read_text()
     )
+    if different_faces:
+        # Open the union of the observed garnet faces on one trace. A full
+        # identity basis would also unfreeze sites absent from every saved
+        # equilibrium, introducing stiff directions at these cold endpoints.
+        rows = np.unique(
+            np.vstack(
+                [
+                    phase["composition_basis"]
+                    for line in data["boundaries"]
+                    for point in line["points"]
+                    for phase in point["phases"]
+                    if phase["candidate_index"] == 6
+                ]
+            ),
+            axis=0,
+        )
+        _, _, pivots = qr(rows.T, pivoting=True)
+        basis = rows[pivots[: np.linalg.matrix_rank(rows)]].tolist()
+        for point in data["boundaries"][0]["points"]:
+            for phase in point["phases"]:
+                if phase["candidate_index"] == 6:
+                    phase["composition_basis"] = basis
     if reverse:
         transform_saved_traces(data, "reverse")
     result = refine_pyrolite_fixture(data)

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/python/tests/test_slb2024.py

@@ -458,15 +458,31 @@ def test_resumed_model_limit_remains_attached_to_recomputed_eos_envelope(example
         previous,
         opts,
     )
-    point = result.boundaries[0].points[0 if case["start"] else -1]
+    line = result.boundaries[0]
+    point = line.points[0 if case["start"] else -1]
     saved = previous["boundaries"][0]["points"][0 if case["start"] else -1]
+    location = np.array([point.pressure, point.temperature])
+    scale = np.ptp(np.asarray(result.coordinate_ranges), axis=1)
+    # Rebuilding the EOS envelope may re-correct a nearby saved endpoint onto
+    # that envelope. Verify the accepted equilibrium and its attachment rather
+    # than requiring the old numerical stopping point to remain unchanged.
     assert (
-        point.pressure == saved["pressure"]
-        and point.temperature == saved["temperature"]
+        np.linalg.norm((location - [saved["pressure"], saved["temperature"]]) / scale)
+        <= 2.0 * opts.node_tolerance
     )
-    location = np.array([point.pressure, point.temperature])
+    assert point.mass_balance_error <= opts.mass_balance_tolerance
+    n_endmembers = sum(len(phase.composition) for phase in point.phases)
+    assert point.residual <= np.hypot(
+        np.sqrt(n_endmembers) * 0.1 * opts.affinity_tolerance,
+        np.linalg.norm(list(result.composition_start.values()))
+        * opts.mass_balance_tolerance,
+    )
+    assert point.minimum_affinity >= -opts.affinity_tolerance
+    node_id = line.start_node if case["start"] else line.end_node
+    node = result.nodes[node_id]
+    assert (node.pressure, node.temperature) == (point.pressure, point.temperature)
     assert any(
-        np.min(np.linalg.norm((ring - location) / [150.0e9, 4000.0], axis=1)) < 1.0e-12
+        np.min(np.linalg.norm((ring - location) / scale, axis=1)) < 1.0e-12
         for ring in result.excluded_regions
     )
     # The common serializer keeps the envelope, original compositions and
@@ -481,7 +497,7 @@ def test_resumed_model_limit_remains_attached_to_recomputed_eos_envelope(example
     )
     assert resumed.settings.required_eos_phases == ["opx"]
     assert any(
-        np.min(np.linalg.norm((ring - location) / [150.0e9, 4000.0], axis=1)) < 1.0e-12
+        np.min(np.linalg.norm((ring - location) / scale, axis=1)) < 1.0e-12
         for ring in resumed.excluded_regions
     )
 

burnman_cpp-0.4.0/python/tests/test_wheel_metadata.py

@@ -0,0 +1,22 @@
+# ------------------------------------------------------
+#
+# SPDX-License-Identifier: GPL-3.0-or-later
+#
+# SPDX-FileCopyrightText: Copyright (C) 2026 by the BurnMan Team.
+#
+# This file is part of BurnMan.
+#
+# Detailed license information governing the source code
+# and contributions can be found in the LICENSE document.
+#
+# ------------------------------------------------------
+
+"""The installed distribution and its compiled extension describe one release."""
+
+from importlib.metadata import version
+
+import burnman_cpp as bm
+
+
+def test_native_and_distribution_versions_agree():
+    assert bm.__version__ == version("burnman_cpp")

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/src/tools/phase_diagram/continuation.cpp

@@ -1057,10 +1057,10 @@ bool same_boundary_curve(Engine &engine, const Result &result,
             return std::find(two.assemblage.begin(), two.assemblage.end(),
                              p.id) == two.assemblage.end();
           });
-          // Reaction extents can carry different saved active faces. Open
+          // Independent traces can carry different saved active faces. Open
           // their union without copying compositions between independent
           // starting states, so a stale frozen site cannot define identity.
-          if (univariant && !share_composition_faces(first_seed, warm))
+          if (!share_composition_faces(first_seed, warm))
             return false;
           // Identity needs more accurate roots than ordinary tracing: weak
           // frozen-site affinities can otherwise leave two accepted states
@@ -1152,6 +1152,10 @@ bool same_boundary_curve(Engine &engine, const Result &result,
   // corrected equilibria; failed warm starts supply no evidence either way,
   // whereas any actual disagreement vetoes the identification.
   const auto forward = verified(first, second);
+  // A partial retrace must lie on the whole curve. The reverse requirement
+  // would incorrectly demand that its short arc also covers the whole curve.
+  if (partial)
+    return forward.value_or(false);
   if (shared_branch) {
     if (forward == false)
       return false;
@@ -1159,7 +1163,6 @@ bool same_boundary_curve(Engine &engine, const Result &result,
     return backward != false &&
            (forward.value_or(false) || backward.value_or(false));
   }
-  return forward.value_or(false) &&
-         (partial || verified(second, first).value_or(false));
+  return forward.value_or(false) && verified(second, first).value_or(false);
 }
 } // namespace burnman::phase_diagrams::detail

{burnman_cpp-0.2.0 → burnman_cpp-0.4.0}/src/tools/phase_diagram/tracing.cpp

@@ -2473,6 +2473,9 @@ void Tracer::model_domain() {
 }
 
 void Tracer::reconcile_boundaries(bool transfer_labels_only) {
+  auto returns_to_node = [](const Boundary &line) {
+    return line.start_node >= 0 && line.start_node == line.end_node;
+  };
   std::vector<Boundary> unique;
   for (auto &line : result.boundaries) {
     bool duplicate = false;
@@ -2484,11 +2487,18 @@ void Tracer::reconcile_boundaries(bool transfer_labels_only) {
         continue;
       bool same_sides = same_boundary_sides(old, line);
       bool same_ends = same_boundary_nodes(old, line, result);
-      const bool partial = complete_boundary(line) != complete_boundary(old);
-      auto &part = complete_boundary(line) ? old : line;
-      auto &whole = complete_boundary(line) ? line : old;
+      const bool unfinished = complete_boundary(line) != complete_boundary(old);
+      // An out-and-back trace can be complete at its shared starting node
+      // while covering only part of another boundary. Verify its entire arc
+      // just as for an unfinished retrace; a genuine closed loop must survive.
+      const bool partial =
+          unfinished || returns_to_node(line) != returns_to_node(old);
+      const bool line_is_part =
+          unfinished ? !complete_boundary(line) : returns_to_node(line);
+      auto &part = line_is_part ? line : old;
+      auto &whole = line_is_part ? old : line;
       if (partial) {
-        // An unfinished retrace is removable only when an anchored,
+        // A partial retrace is removable only when an anchored,
         // completed record covers its entire equilibrium branch.
         auto shares = [&](int node) {
           return node >= 0 &&
@@ -2527,7 +2537,13 @@ void Tracer::reconcile_boundaries(bool transfer_labels_only) {
           bad.reaction_kind = good.reaction_kind;
         }
         duplicate = true;
-        retain_curve(old, line);
+        // Keep the whole arc even if its covered retrace has more samples.
+        if (partial && !line_is_part) {
+          const int id = old.id;
+          old = std::move(line);
+          old.id = id;
+        } else if (!partial)
+          retain_curve(old, line);
         if (!same_sides && univariant)
           label(old);
         break;