musica 0.12.0__cp310-cp310-win32.whl → 0.12.2__cp310-cp310-win32.whl

musica/CMakeLists.txt

@@ -1,7 +1,7 @@
 ################################################################################
 # Python Extension Modules
 
-#include(setup_muisca_target)
+include(setup_musica_target)
 
 # Define the list of Python extension module targets
 set(PY_MODULES _musica)
@@ -12,16 +12,42 @@ set(
     cuda.cpp 
     mechanism_configuration.cpp 
     musica.cpp 
-
     ${MUSICA_SOURCES}
 )
 
+if (MUSICA_ENABLE_TUVX)
+  list(APPEND MUSICA_PYTHON_SOURCES
+    tuvx.cpp
+  )
+endif()
+
+if (MUSICA_ENABLE_CARMA)
+  list(APPEND MUSICA_PYTHON_SOURCES
+    carma.cpp
+  )
+endif()
+
 pybind11_add_module(_musica cpu_binding.cpp ${MUSICA_PYTHON_SOURCES})
 musica_setup_target(_musica MODE CPU)
 
+# Set separate Fortran module directory for _musica to avoid conflicts
+if (MUSICA_ENABLE_TUVX OR MUSICA_ENABLE_CARMA)
+  set_target_properties(_musica PROPERTIES
+    Fortran_MODULE_DIRECTORY ${PROJECT_BINARY_DIR}/musica_python_cpu_modules
+  )
+endif()
+
 if (NOT ${MUSICA_GPU_TYPE} STREQUAL "None")
   pybind11_add_module(_musica_gpu gpu_binding.cpp ${MUSICA_PYTHON_SOURCES}) 
   musica_setup_target(_musica_gpu MODE GPU)
+  
+  # Set separate Fortran module directory for _musica_gpu to avoid conflicts
+  if (MUSICA_ENABLE_TUVX OR MUSICA_ENABLE_CARMA)
+    set_target_properties(_musica_gpu PROPERTIES
+      Fortran_MODULE_DIRECTORY ${PROJECT_BINARY_DIR}/musica_python_gpu_modules
+    )
+  endif()
+  
   list(APPEND PY_MODULES _musica_gpu)
 endif()
 

musica/__init__.py

@@ -1,51 +1,11 @@
-import importlib.util
+"""
+MUSICA: A Python library for atmospheric chemistry simulations.
+"""
 
-
-def _safe_find_spec(name):
-    try:
-        return importlib.util.find_spec(name)
-    except ModuleNotFoundError:
-        return None
-
-
-def _gpu_deps_installed():
-    return (
-        _safe_find_spec("nvidia.cublas") is not None or
-        _safe_find_spec("nvidia_cuda_runtime") is not None or
-        _safe_find_spec("nvidia-cublas-cu12") is not None or
-        _safe_find_spec("nvidia-cuda-runtime-cu12") is not None
-    )
-
-
-if _gpu_deps_installed():
-    from . import _musica_gpu as _backend
-else:
-    from . import _musica as _backend
-
-# Helper to re-export names from a module
-def _export_all(module, names, globals_):
-    for name in names:
-        globals_[name] = getattr(module, name)
-
-
-_core_names = [
-    "_Conditions", "_SolverType", "_Solver", "_State", "_create_solver",
-    "_create_solver_from_mechanism", "_create_state", "_micm_solve", "_vector_size",
-    "_species_ordering", "_user_defined_rate_parameters_ordering",
-]
-_mechanism_names = [
-    "_ReactionType", "_Species", "_Phase", "_ReactionComponent", "_Arrhenius",
-    "_CondensedPhaseArrhenius", "_Troe", "_Branched", "_Tunneling", "_Surface",
-    "_Photolysis", "_CondensedPhasePhotolysis", "_Emission", "_FirstOrderLoss",
-    "_AqueousEquilibrium", "_WetDeposition", "_HenrysLaw", "_SimpolPhaseTransfer",
-    "_UserDefined", "_Reactions", "_ReactionsIterator", "_Mechanism", "_Version", "_Parser"
-]
-
-# this allows us to use the same symbols in both the GPU and CPU versionspp
-_export_all(_backend._core, _core_names, globals())
-_export_all(_backend._mechanism_configuration, _mechanism_names, globals())
-
-__all__ = _core_names + _mechanism_names
-
-from .types import MICM, SolverType, State, Conditions
 from ._version import version as __version__
+from .types import MICM, SolverType, State, Conditions
+from . import mechanism_configuration
+from .tuvx import TUVX
+from .carma import CARMA, CARMAParameters, CARMAGroupConfig, CARMAElementConfig, CARMAState, CARMAGasConfig
+from . import cuda
+from .examples import Examples

musica/_version.py

@@ -1 +1 @@
-version = "0.12.0"
+version = "0.12.2"

musica/backend.py

@@ -0,0 +1,41 @@
+"""
+Backend selection and symbol loading for MUSICA.
+"""
+import importlib.util
+
+
+def _safe_find_spec(name):
+    try:
+        return importlib.util.find_spec(name)
+    except ModuleNotFoundError:
+        return None
+
+
+def _gpu_deps_installed():
+    return (
+        _safe_find_spec("nvidia.cublas") is not None or
+        _safe_find_spec("nvidia_cuda_runtime") is not None or
+        _safe_find_spec("nvidia-cublas-cu12") is not None or
+        _safe_find_spec("nvidia-cuda-runtime-cu12") is not None
+    )
+
+
+def get_backend():
+    """Get the appropriate backend module."""
+    if _gpu_deps_installed():
+        import musica._musica_gpu as backend
+    else:
+        import musica._musica as backend
+    return backend
+
+
+def tuvx_available():
+    """Check if the TUVX backend is available."""
+    _backend = get_backend()
+    return hasattr(_backend._tuvx, "_get_tuvx_version")
+
+
+def carma_available():
+    """Check if the CARMA backend is available."""
+    _backend = get_backend()
+    return hasattr(_backend._carma, "_get_carma_version")

musica/binding_common.cpp

@@ -2,15 +2,32 @@
 
 void bind_cuda(py::module_ &);
 void bind_musica(py::module_ &);
+#ifdef MUSICA_USE_TUVX
+void bind_tuvx(py::module_ &);
+#endif
+#ifdef MUSICA_USE_CARMA
+void bind_carma(py::module_ &);
+#endif
 
 void bind_mechanism_configuration(py::module_ &);
 
-void bind_all(py::module_ &m) {
-    py::module_ core = m.def_submodule("_core", "Wrapper classes for MUSICA C library structs and functions");
-    py::module_ mechanism_configuration = m.def_submodule("_mechanism_configuration", "Wrapper classes for Mechanism Configuration library structs and functions");
+void bind_all(py::module_ &m)
+{
+  py::module_ core = m.def_submodule("_core", "Wrapper classes for MUSICA C library structs and functions");
+  py::module_ mechanism_configuration = m.def_submodule(
+      "_mechanism_configuration", "Wrapper classes for Mechanism Configuration library structs and functions");
+  py::module_ tuvx = m.def_submodule("_tuvx", "Wrapper classes for TUV-x photolysis calculator");
+  py::module_ carma = m.def_submodule("_carma", "Wrapper classes for CARMA photolysis calculator");
 
-    bind_cuda(core);
-    bind_musica(core);
+  bind_cuda(core);
+  bind_musica(core);
+#ifdef MUSICA_USE_TUVX
+  bind_tuvx(tuvx);
+#endif
 
-    bind_mechanism_configuration(mechanism_configuration);
+#ifdef MUSICA_USE_CARMA
+  bind_carma(carma);
+#endif
+
+  bind_mechanism_configuration(mechanism_configuration);
 }