Link Python module to Cantera shared library

.github/workflows/main.yml

@@ -133,14 +133,14 @@ jobs:
         python-version: 3.11
       if: matrix.python-version == '3.11'
     - name: Install Brew dependencies
-      run: brew install boost libomp hdf5
+      run: brew install --display-times boost libomp hdf5
     - name: Setup Homebrew Python
       # This path should work for future Python versions as well
       if: matrix.python-version != '3.11'
       run: |
-        brew install python@${{ matrix.python-version }}
+        brew install --display-times python@${{ matrix.python-version }}
         brew link --force --overwrite python@${{ matrix.python-version }}
-        brew install scons
+        brew install --display-times scons
     - name: Upgrade pip
       run: $PYTHON_CMD -m pip install -U pip 'setuptools>=47.0.0,<48' wheel
     - name: Install Python dependencies
@@ -384,6 +384,7 @@ jobs:
       - name: Run the examples
         # See https://unix.stackexchange.com/a/392973 for an explanation of the -exec part
         run: |
+          export LD_LIBRARY_PATH=build/lib
           find samples/python -type f -iname "*.py" \
           -exec sh -c 'for n; do echo "$n" | tee -a results.txt && python3 "$n" >> results.txt || exit 1; done' sh {} +
         env:
@@ -562,7 +563,7 @@ jobs:
         id: cache-boost
         with:
           path: ${{env.BOOST_ROOT}}
-          key: boost
+          key: boost-178-win
 
       - name: Install Boost Headers
         if: steps.cache-boost.outputs.cache-hit != 'true'
@@ -680,9 +681,9 @@ jobs:
         python3 `which scons` test show_long_tests=yes verbose_tests=yes --debug=time
 
   windows-mingw:
-    name: mingw on Windows, Python 3.8
-    runs-on: windows-2019
-    timeout-minutes: 60
+    name: mingw on Windows, Python 3.10
+    runs-on: windows-2022
+    timeout-minutes: 120 # MinGW is slooooow
     env:
       BOOST_ROOT: ${{github.workspace}}/3rdparty/boost
       BOOST_URL: https://boostorg.jfrog.io/artifactory/main/release/1.78.0/source/boost_1_78_0.7z
@@ -694,22 +695,23 @@ jobs:
     - name: Set Up Python
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: "3.10"
         architecture: x64
     - name: Install Python dependencies
       run: |
-        python -m pip install -U pip 'setuptools>=47.0.0,<48' wheel
+        python -m pip install -U pip setuptools wheel
         python -m pip install scons pypiwin32 numpy ruamel.yaml cython h5py pandas pytest pytest-github-actions-annotate-failures
     - name: Restore Boost cache
       uses: actions/cache@v3
       id: cache-boost
       with:
         path: ${{env.BOOST_ROOT}}
-        key: boost
+        key: boost-178-win
     - name: Set up MinGW
       uses: egor-tensin/setup-mingw@v2
       with:
         platform: x64
+        static: false
     - name: Install Boost Headers
       if: steps.cache-boost.outputs.cache-hit != 'true'
       run: |
@@ -722,11 +724,26 @@ jobs:
       shell: bash
     - name: Build Cantera
       run: scons build -j2 boost_inc_dir=%BOOST_ROOT% debug=n logging=debug
-        python_package=full env_vars=PYTHONPATH,GITHUB_ACTIONS
+        python_package=full env_vars=USERPROFILE,PYTHONPATH,GITHUB_ACTIONS
         toolchain=mingw f90_interface=n --debug=time
       shell: cmd
+    - name: Upload Wheel
+      uses: actions/upload-artifact@v3
+      with:
+        path: build\python\dist\Cantera*.whl
+        name: Cantera-win_amd64.whl
+        retention-days: 2
     - name: Test Cantera
       run: scons test show_long_tests=yes verbose_tests=yes --debug=time
+    - name: Upload Test binaries
+      if: always()
+      uses: actions/upload-artifact@v3
+      with:
+        path: |
+          build/test/**/*.exe
+          build/lib/*.dll
+        name: mingw-gtest-binaries
+        retention-days: 2
 
   dotnet:
     name: .NET on ${{ matrix.os }}
@@ -755,7 +772,7 @@ jobs:
       shell: pwsh
       if: matrix.os == 'windows-2022'
     - name: Install Brew dependencies (macOS)
-      run: brew install hdf5
+      run: brew install --display-times hdf5
       if: matrix.os == 'macos-11'
     - name: Install Apt dependencies (Ubuntu)
       run: sudo apt install libhdf5-dev

CONTRIBUTING.md

@@ -79,8 +79,8 @@
 * Class names use `InitialCapsNames`
 * Methods use `camelCaseNames`
 * Do not indent the contents of namespaces
-* Code should follow the C++14 standard, with minimum required compiler versions
-  GCC 6.1, Clang 3.4, MSVC 14.1 (2017) and Intel 17.0.
+* Code should follow the C++17 standard, with minimum required compiler versions
+  GCC 7.0, Clang 4.0, MSVC 14.14 (Visual Studio 2017 version 15.7) and Intel 19.0.
 * Avoid manual memory management (that is, `new` and `delete`), preferring to use
   standard library containers, as well as `std::unique_ptr` and
   `std::shared_ptr` when dynamic allocation is required.

SConstruct

@@ -219,8 +219,8 @@ config_options = [
            options with spaces, for example, "cxx_flags='-g -Wextra -O3 --std=c++14'"
            """,
         {
-            "cl": "/EHsc",
-            "default": "-std=c++14"
+            "cl": "/EHsc /std:c++17",
+            "default": "-std=c++17"
         }),
     Option(
         "CC",
@@ -1131,9 +1131,6 @@ if env['coverage']:
         logger.error("Coverage testing is only available with GCC.")
         exit(0)
 
-if env['toolchain'] == 'mingw':
-    env.Append(LINKFLAGS=['-static-libgcc', '-static-libstdc++'])
-
 def config_error(message):
     if env["logging"].lower() == "debug":
         logger.error(message)
@@ -1900,13 +1897,20 @@ if env["python_package"] == "full" and env["OS"] == "Darwin":
     # the name of the wheel file for the Python module. If this is not specified by the
     # MACOSX_DEPLOYMENT_TARGET environment variable, get the value from the Python
     # installation and use that.
-    if not env["ENV"].get("MACOSX_DEPLOYMENT_TARGET", False):
+    mac_target = env["ENV"].get("MACOSX_DEPLOYMENT_TARGET", None)
+    if not mac_target:
         info = get_command_output(
             env["python_cmd"],
             "-c",
             "import sysconfig; print(sysconfig.get_platform())"
         )
-        env["ENV"]["MACOSX_DEPLOYMENT_TARGET"] = info.split("-")[1]
+        mac_target = info.split("-")[1]
+        if parse_version(mac_target) < parse_version('10.15'):
+            # macOS 10.15 is the minimum version with C++17 support
+            mac_target = '10.15'
+
+    env["ENV"]["MACOSX_DEPLOYMENT_TARGET"] = mac_target
+    logger.info(f"MACOSX_DEPLOYMENT_TARGET = {mac_target}")
 
 # Matlab Toolbox settings
 if env["matlab_path"] != "" and env["matlab_toolbox"] == "default":
@@ -2087,6 +2091,9 @@ else:
     for loc in locations:
         env[f"inst_{loc}"] = env[f"ct_{loc}"].replace(env["ct_installroot"], instRoot)
 
+if env['use_rpath_linkage']:
+    env.Append(RPATH=env['ct_libdir'])
+
 # **************************************
 # *** Set options needed in config.h ***
 # **************************************
@@ -2189,7 +2196,15 @@ def install(*args, **kwargs):
 env.SConsignFile()
 
 env.Prepend(CPPPATH=[],
-           LIBPATH=[Dir('build/lib')])
+            LIBPATH=[Dir('build/lib')])
+
+# Add build/lib to library search path in order to find Cantera shared library
+if env['OS'] == 'Windows':
+    env.PrependENVPath('PATH', Dir('#build/lib').abspath)
+elif env['OS'] == 'Darwin':
+    env.PrependENVPath('DYLD_LIBRARY_PATH', Dir('#build/lib').abspath)
+else:
+    env.PrependENVPath('LD_LIBRARY_PATH', Dir('#build/lib').abspath)
 
 for yaml in multi_glob(env, "data", "yaml"):
     dest = Path() / "build" / "data" / yaml.name
@@ -2219,6 +2234,9 @@ else:
 env["external_libs"] = []
 env["external_libs"].extend(env["sundials_libs"])
 
+if env["OS"] == "Linux":
+    env["external_libs"].append("dl")
+
 if env["use_hdf5"]:
     env["external_libs"].append("hdf5")
 

ext/SConscript

@@ -40,8 +40,7 @@ if not env['system_fmt']:
     license_files["fmtlib"] = File("#ext/fmt/LICENSE.rst")
     localenv = prep_default(env)
     localenv.Prepend(CPPPATH=Dir('#ext/fmt/include'))
-    libraryTargets.extend(
-        localenv.SharedObject(multi_glob(localenv, 'fmt/src', 'cc')))
+    libraryTargets.extend(localenv.SharedObject(['fmt/src/format.cc', 'fmt/src/os.cc']))
     for name in ('format.h', 'ostream.h', 'printf.h', 'core.h', 'format-inl.h'):
         ext_copies.extend(
             copyenv.Command("#include/cantera/ext/fmt/" + name,

include/cantera/base/ExtensionManager.h

@@ -44,6 +44,31 @@ class ExtensionManager
         throw NotImplementedError("ExtensionManager::registerRateBuilders");
     };
 
+    //! Register a user-defined ReactionRate implementation with ReactionRateFactory
+    //! @param extensionName The name of the library/module containing the user-defined
+    //!     rate. For example, the module name for rates implemented in Python.
+    //! @param className The name of the rate in the user's code. For example, the
+    //!     Python class name
+    //! @param rateName The name used to construct a rate of this type using
+    //!     the newReactionRate() function or from a YAML input file
+    virtual void registerRateBuilder(const string& extensionName,
+        const string& className, const string& rateName)
+    {
+        throw NotImplementedError("ExtensionManager::registerRateBuilder");
+    }
+
+    //! Register a user-defined ReactionData implementation
+    //! @param extensionName The name of the library/module containing the user-defined
+    //!     type. For example, the module name for rates implemented in Python.
+    //! @param className The name of the data object in the user's code. For example,
+    //!     the Python class name
+    //! @param rateName The name of the corresponding reaction rate type
+    virtual void registerRateDataBuilder(const string& extensionName,
+        const string& className, const string& rateName)
+    {
+        throw NotImplementedError("ExtensionManager::registerRateDataBuilder");
+    }
+
     //! Create an object in an external language that wraps the specified ReactionData
     //! object
     //!

include/cantera/base/ExtensionManagerFactory.h

@@ -26,11 +26,11 @@ class ExtensionManagerFactory : public Factory<ExtensionManager>
     //! Delete the static instance of this factory
     virtual void deleteFactory();
 
-private:
     //! Static function that returns the static instance of the factory, creating it
     //! if necessary.
     static ExtensionManagerFactory& factory();
 
+private:
     //! static member of the single factory instance
     static ExtensionManagerFactory* s_factory;
 

include/cantera/base/ct_defs.h

@@ -22,9 +22,11 @@
 #include <cstdlib>
 #include <vector>
 #include <map>
+#include <set>
 #include <string>
 #include <algorithm>
 #include <memory>
+#include <functional>
 
 /**
  * Namespace for the Cantera kernel.
@@ -36,6 +38,12 @@ using std::shared_ptr;
 using std::make_shared;
 using std::unique_ptr;
 using std::isnan; // workaround for bug in libstdc++ 4.8
+using std::string;
+using std::vector;
+using std::map;
+using std::set;
+using std::function;
+using std::pair;
 
 /*!
  * All physical constants are stored here.
@@ -159,20 +167,20 @@ const double Tiny = 1.e-20;
 /*!
  * This is used mostly to assign concentrations and mole fractions to species.
  */
-typedef std::map<std::string, double> compositionMap;
+typedef map<string, double> compositionMap;
 
 //! Map from string names to doubles. Used for defining species mole/mass
 //! fractions, elemental compositions, and reaction stoichiometries.
-typedef std::map<std::string, double> Composition;
+typedef map<string, double> Composition;
 
 //! Turn on the use of stl vectors for the basic array type within cantera
 //! Vector of doubles.
-typedef std::vector<double> vector_fp;
+typedef vector<double> vector_fp;
 //! Vector of ints
-typedef std::vector<int> vector_int;
+typedef vector<int> vector_int;
 
 //! A grouplist is a vector of groups of species
-typedef std::vector<std::vector<size_t> > grouplist_t;
+typedef vector<vector<size_t>> grouplist_t;
 
 //! index returned by functions to indicate "no position"
 const size_t npos = static_cast<size_t>(-1);

include/cantera/base/global.h

@@ -87,6 +87,14 @@ void loadExtension(const std::string& extType, const std::string& name);
 //! @since New in Cantera 3.0
 void loadExtensions(const AnyMap& node);
 
+//! @copydoc Application::searchPythonVersions
+void searchPythonVersions(const string& versions);
+
+//! Returns `true` if Cantera was loaded as a shared library in the current
+//! application. Returns `false` if it was statically linked.
+//! @since New in Cantera 3.0
+bool usingSharedLibrary();
+
 //! Delete and free all memory associated with the application
 /*!
  * Delete all global data.  It should be called at the end of the
@@ -97,6 +105,11 @@ void appdelete();
 //! @copydoc Application::thread_complete
 void thread_complete();
 
+//! Returns the Cantera version. This function when needing to access the version from a
+//! library, rather than the `CANTERA_VERSION` macro that is available at compile time.
+//! @since New in Cantera 3.0
+string version();
+
 //! Returns the hash of the git commit from which Cantera was compiled, if known
 std::string gitCommit();
 

include/cantera/clib/clib_defs.h

@@ -11,21 +11,10 @@
 #include "cantera/base/config.h"
 #include <stdlib.h>
 
-#ifdef _WIN32
-// Windows (MSVC or MinGW)
-# ifdef CANTERA_USE_INTERNAL
-#  define CANTERA_CAPI extern __declspec(dllexport)
-# else
-#  define CANTERA_CAPI extern __declspec(dllimport)
-# endif
-#else
-// Non-Windows platform
-# ifdef CANTERA_USE_INTERNAL
-#  define CANTERA_CAPI extern
-# else
-#  define CANTERA_CAPI
-# endif
-#endif
+// Legacy attribute applied to clib functions. Currently, used only to identify
+// functions that should be considered by the 'sourcegen' parser for inclusion in the
+// C# interface.
+#define CANTERA_CAPI
 
 // Values returned for error conditions
 #ifndef ERR

include/cantera/cython/funcWrapper.h

@@ -7,9 +7,6 @@
 #include "cantera/numerics/Func1.h"
 #include "cantera/base/ctexceptions.h"
 #include <stdexcept>
-
-#define CANTERA_USE_INTERNAL
-#include "cantera/clib/clib_defs.h"
 #include "Python.h"
 
 typedef double(*callback_wrapper)(double, void*, void**);
@@ -166,7 +163,7 @@ class Func1Py : public Cantera::Func1
 };
 
 extern "C" {
-    CANTERA_CAPI PyObject* pyCanteraError;
+    extern PyObject* pyCanteraError;
 }