mutationpp · rdbisme · Dec 11, 2025 · Dec 4, 2025 · Dec 5, 2025 · Dec 5, 2025
diff --git a/.github/workflows/test_python.yml b/.github/workflows/test_python.yml
@@ -1,26 +1,30 @@
-name: Test Python 
+name: Test Python
 on: [push, pull_request]
 
 jobs:
-    test_linux:
-      runs-on: ubuntu-latest
+    test:
+      runs-on: ${{ matrix.runner }}
+      strategy:
+        fail-fast: false
+        matrix:
+          runner:
+            - ubuntu-latest
+            - macos-latest
+          python-version:
+            - "3.10"
+            - "3.x"
       steps:
-        - uses: actions/checkout@v2
+
+        - uses: actions/checkout@v6
           with:
             submodules: recursive
 
-        - uses: actions/setup-python@v2
+        - uses: actions/setup-python@v6
           with:
-            python-version: "3.x"
-
-        - name: Upgrade pip
-          run: pip install -U setuptools wheel pip
+            python-version: ${{ matrix.python-version }}
 
         - name: Install package for testing
-          run: pip install ".[test]"
+          run: python -m pip install ".[test]"
 
         - name: Run tests
-          run: >
-            export MPP_DIRECTORY=$(pwd) &&
-            export MPP_DATA_DIRECTORY=$MPP_DIRECTORY/data &&
-            pytest
+          run: pytest
diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
@@ -8,76 +8,62 @@ jobs:
     test_linux:
       runs-on: ubuntu-latest
       steps:
-        - uses: actions/checkout@v2
+        - uses: actions/checkout@v6
           with:
             submodules: recursive
 
-        - uses: actions/setup-python@v2
+        - uses: actions/setup-python@v6
           with:
             python-version: "3.x"
 
-        - name: Upgrade pip
-          run: pip install -U setuptools wheel pip
-
         - name: Install package for testing
-          run: pip install ".[test]"
+          run: python -m pip install ".[test]"
 
         - name: Run tests
-          run: >
-            export MPP_DIRECTORY=$(pwd) &&
-            export MPP_DATA_DIRECTORY=$MPP_DIRECTORY/data &&
-            pytest
+          run: pytest
 
     test_mac:
       runs-on: macos-latest
       steps:
-        - uses: actions/checkout@v2
+        - uses: actions/checkout@v6
           with:
             submodules: recursive
 
-        - uses: actions/setup-python@v2
+        - uses: actions/setup-python@v6
           with:
             python-version: "3.x"
 
-        - name: Upgrade pip
-          run: pip install -U setuptools wheel pip
-
         - name: Install package for testing
-          run: pip install ".[test]"
+          run: python -m pip install ".[test]"
 
         - name: Run tests
-          run: >
-            export MPP_DIRECTORY=$(pwd) &&
-            export MPP_DATA_DIRECTORY=$MPP_DIRECTORY/data &&
-            pytest
+          run: pytest
 
     linux_wheels:
         strategy:
           matrix:
-            python-version: 
-              - cp36-cp36m
-              - cp37-cp37m
-              - cp38-cp38
-              - cp39-cp39
+            python-version:
+              - cp310-cp310
+              - cp311-cp311
+              - cp312-cp312
+              - cp313-cp313
+              - cp314-cp314
 
         needs: test_linux
         runs-on: ubuntu-latest
         steps:
-          - uses: actions/checkout@v2
+          - uses: actions/checkout@v6
             with:
               submodules: recursive
 
-          - uses: actions/setup-python@v2
+          - uses: actions/setup-python@v6
             with:
-              python-version: 3.9
-
-          - name: Upgrade pip
-            run: pip install -U setuptools wheel pip
+              python-version: 3.14
 
           - name: Build manylinux Python wheels
             uses: RalfG/python-wheels-manylinux-build@v0.3.4-manylinux2010_x86_64
             with:
-              python-versions: "${{ matrix.python-version }}"
+              python-versions: ${{ matrix.python-version }}
 
           - uses: actions/upload-artifact@v2
             with:
@@ -88,27 +74,28 @@ jobs:
     mac_wheels:
         strategy:
           matrix:
-            python-version: 
-              - 3.6
-              - 3.7
-              - 3.8
-              - 3.9
+            python-version:
+              - "3.10"
+              - "3.11"
+              - "3.12"
+              - "3.13"
+              - "3.14"
         needs: test_mac
         runs-on: macos-latest
         steps:
-          - uses: actions/checkout@v2
+          - uses: actions/checkout@v6
             with:
               submodules: recursive
 
-          - uses: actions/setup-python@v2
+          - uses: actions/setup-python@v6
             with:
-              python-version: "${{ matrix.python-version }}"
+              python-version: ${{ matrix.python-version }}
 
-          - name: Upgrade pip
-            run: pip install -U setuptools wheel pip
+          - name: Install build
+            run: python -m pip install build
 
-          - name: Build wheels
-            run: pip wheel . -w dist/
+          - name: Build wheel
+            run: python -m build --whell
 
           - uses: actions/upload-artifact@v2
             with:
@@ -120,19 +107,19 @@ jobs:
       needs: test_linux
       runs-on: ubuntu-latest
       steps:
-        - uses: actions/checkout@v2
+        - uses: actions/checkout@v6
           with:
             submodules: recursive
 
-        - uses: actions/setup-python@v2
+        - uses: actions/setup-python@v6
           with:
-            python-version: 3.9
+            python-version: "3.x"
 
-        - name: Upgrade pip
-          run: pip install -U setuptools wheel pip scikit-build
+        - name: Install build
+          run: python -m pip install build
 
         - name: Build sdist
-          run: python setup.py sdist
+          run: python -m build --sdist
 
         - uses: actions/upload-artifact@v2
           with:
@@ -159,12 +146,12 @@ jobs:
               name: sdist
               path: dist
 
-          - name: Upgrade pip
-            run: pip install -U setuptools wheel pip
+          - uses: actions/setup-python@v6
+            with:
+              python-version: "3.x"
 
           - name: Install twine
-            run: pip install twine
+            run: python -m pip install twine
 
           - name: Upload wheels
             run: twine upload -u __token__ -p "${{ secrets.TESTPYPI_TOKEN }}" --repository testpypi dist/*
-
diff --git a/.gitignore b/.gitignore
@@ -15,8 +15,9 @@ docs/html/
 .vscode/
 
 # Python
+dist/
+**/__pycache__/
 *.pyc
-_skbuild/
 *.whl
 
 # OS specifics

diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -47,7 +47,7 @@ if (BUILD_FORTRAN_WRAPPER)
 endif()
 
 #######################################################################
-#            Python bindings built with pip + scikit-build            #
+# Python bindings built with scikit-build-core + pybind11             #
 #######################################################################
 
 if (SKBUILD)

diff --git a/interface/python/.gitignore b/interface/python/.gitignore
@@ -1,6 +1,7 @@
 ###Build###
 build/
 dist/
+**/__pycache__/
 mutationpp.egg-info/
 *.so
 

diff --git a/interface/python/CMakeLists.txt b/interface/python/CMakeLists.txt
@@ -1,23 +1,18 @@
-if (CMAKE_VERSION VERSION_LESS 3.18)
-    set(PY_DEV_MODULE Development)
-else()
-    set(PY_DEV_MODULE Development.Module)
-endif()
-
-find_package(Python COMPONENTS Interpreter ${PY_DEV_MODULE} REQUIRED)
-
-execute_process(
-    COMMAND "${Python_EXECUTABLE}" -m pybind11 --cmakedir
-    OUTPUT_STRIP_TRAILING_WHITESPACE OUTPUT_VARIABLE pybind11_ROOT)
+find_package(Python COMPONENTS Interpreter Development.Module REQUIRED)
 
 find_package(pybind11 CONFIG REQUIRED)
 
 pybind11_add_module(_mutationpp
     src/mutationpp_python.cpp
+    src/pyGlobalOptions.cpp
     src/pyMixtureOptions.cpp
     src/pyMixture.cpp
 )
 
 target_link_libraries(_mutationpp PRIVATE mutation++)
 
-install(TARGETS _mutationpp DESTINATION .)
+install(DIRECTORY mutationpp DESTINATION .)
+
+install(TARGETS _mutationpp DESTINATION mutationpp)
+
+install(DIRECTORY "${CMAKE_SOURCE_DIR}/data" DESTINATION mutationpp)
diff --git a/interface/python/DESCRIPTION.md b/interface/python/DESCRIPTION.md
@@ -0,0 +1,3 @@
+<img src="https://raw.githubusercontent.com/mutationpp/mutationpp/HEAD/docs/artwork/mpp-logo.png" alt="Mutation++" width="500"/>
+
+*Mutation++* is an open-source library providing thermodynamic, transport, chemistry, and energy transfer properties associated with subsonic to hypersonic flows.
diff --git a/interface/python/mutationpp/__init__.py b/interface/python/mutationpp/__init__.py
@@ -1 +1,3 @@
+"""Mutation++ Python bindings"""
+
 from ._mutationpp import *
diff --git a/interface/python/src/mutationpp_python.cpp b/interface/python/src/mutationpp_python.cpp
@@ -8,11 +8,13 @@
 
 namespace py = pybind11;
 
+void py_export_GlobalOptions(py::module &);
 void py_export_MixtureOptions(py::module &);
 void py_export_Mixture(py::module &);
 
 PYBIND11_MODULE(_mutationpp, m) {
     m.doc() = "Mutation++ Python bindings";
+    py_export_GlobalOptions(m);
     py_export_MixtureOptions(m);
     py_export_Mixture(m);
 }
diff --git a/interface/python/src/pyGlobalOptions.cpp b/interface/python/src/pyGlobalOptions.cpp
@@ -0,0 +1,55 @@
+#include <GlobalOptions.h>
+#include <pybind11/pybind11.h>
+
+namespace py = pybind11;
+
+/**
+ * Python wrapper definition for the GlobalOptions class.
+ */
+
+namespace {
+
+  inline void setDefaultDataDirectory(const std::string& datadir) {
+    if (std::getenv("MPP_DATA_DIRECTORY") == nullptr) {
+      Mutation::GlobalOptions::dataDirectory(datadir);
+    }
+  };
+
+}
+
+void py_export_GlobalOptions(py::module &m) {
+
+  const py::object resources = py::module_::import("importlib.resources");
+  const py::object pkgname = m.attr("__spec__").attr("parent");
+  const py::object rootdir = resources.attr("files")(pkgname);
+  const py::object datadir = rootdir / py::str("data");
+  const std::string data_directory = py::str(datadir).cast<std::string>();
+
+  setDefaultDataDirectory(data_directory);
+
+  /**
+   * Overloaded member functions wrappers
+   */
+
+  /**
+   * Python class definition
+   */
+  py::class_<Mutation::GlobalOptions>(m, "GlobalOptions")
+      .def_static("dataDirectory", [](const std::string& datadir) {
+        Mutation::GlobalOptions::dataDirectory(datadir);
+      })
+      .def_static("dataDirectory", []() {
+        return Mutation::GlobalOptions::dataDirectory();
+      })
+      .def_static("workingDirectory", [](const std::string& workdir) {
+        Mutation::GlobalOptions::workingDirectory(workdir);
+      })
+      .def_static("workingDirectory", []() {
+        return Mutation::GlobalOptions::workingDirectory();
+      })
+      .def_static("reset", [data_directory]() {
+        Mutation::GlobalOptions::reset();
+        setDefaultDataDirectory(data_directory);
+      })
+    ;
+}
Original file line number	Diff line number	Diff line change
		@@ -0,0 +1,3 @@
		<img src="https://raw.githubusercontent.com/mutationpp/mutationpp/HEAD/docs/artwork/mpp-logo.png" alt="Mutation++" width="500"/>

		Mutation++ is an open-source library providing thermodynamic, transport, chemistry, and energy transfer properties associated with subsonic to hypersonic flows.
Original file line number	Diff line number	Diff line change
		@@ -1 +1,3 @@
		"""Mutation++ Python bindings"""

		from ._mutationpp import *