PyPartMC 2.0.8__tar.gz → 2.1.0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {pypartmc-2.0.8 → pypartmc-2.1.0}/CMakeLists.txt +100 -6
- {pypartmc-2.0.8 → pypartmc-2.1.0}/PKG-INFO +89 -2
- {pypartmc-2.0.8 → pypartmc-2.1.0}/README.md +88 -1
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/.github/workflows/ci.yml +4 -4
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/CMakeLists.txt +0 -3
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/cmake/darwin-ld-cpython.sym +1 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/docs/api_extra.rst +17 -2
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/docs/changelog.rst +3 -1
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/docs/ndarray.rst +27 -3
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/include/nanobind/nb_lib.h +1 -1
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/include/nanobind/ndarray.h +12 -7
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/src/nb_ndarray.cpp +23 -35
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/tests/CMakeLists.txt +3 -2
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/tests/test_ndarray.cpp +63 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/tests/test_ndarray.py +65 -1
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/nanobind/tests/test_ndarray_ext.pyi.ref +12 -0
- pypartmc-2.1.0/src/PyPartMC/__generate_si.py +37 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/PyPartMC/__init__.py +6 -36
- pypartmc-2.1.0/src/PyPartMC/cmake/PyPartMCConfig.cmake +65 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/input_guard.hpp +2 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/CITATION.cff +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/CODE_OF_CONDUCT.md +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/CONTRIBUTING.md +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/LICENSE +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Include/amd.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Include/amd_internal.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd.f +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_1.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_2.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_aat.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_control.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_defaults.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_dump.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_global.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_info.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_order.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_post_tree.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_postorder.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_preprocess.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amd_valid.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/AMD/Source/amdbar.f +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/BTF/Include/btf.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/BTF/Include/btf_internal.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/BTF/Source/btf_maxtrans.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/BTF/Source/btf_order.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/BTF/Source/btf_strongcomp.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/COLAMD/Include/colamd.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/COLAMD/Source/colamd.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Include/klu.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Include/klu_internal.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Include/klu_version.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_analyze.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_analyze_given.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_defaults.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_diagnostics.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_dump.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_extract.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_factor.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_free_numeric.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_free_symbolic.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_kernel.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_memory.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_refactor.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_scale.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_solve.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_sort.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/KLU/Source/klu_tsolve.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/LICENSE.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/SuiteSparse_config/SuiteSparse_config.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/SuiteSparse/SuiteSparse_config/SuiteSparse_config.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/COPYING +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/Jacobian.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/Jacobian.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_phase_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_phase_solver.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_phase_solver.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_rep_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_rep_factory.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_rep_solver.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_rep_solver.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_reps/aero_rep_modal_binned_mass.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_reps/aero_rep_modal_binned_mass.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_reps/aero_rep_single_particle.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_reps/aero_rep_single_particle.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/aero_reps.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/camp_common.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/camp_core.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/camp_debug.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/camp_solver.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/camp_solver.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/camp_solver_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/camp_state.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/chem_spec_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/constants.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/debug_diff_check.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/debug_diff_check.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/debug_diff_check.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/env_state.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/mechanism_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/mpi.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/property.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rand.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rand_gsl.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxn_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxn_factory.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxn_solver.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxn_solver.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_CMAQ_H2O2.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_CMAQ_H2O2.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_CMAQ_OH_HNO3.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_CMAQ_OH_HNO3.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_HL_phase_transfer.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_HL_phase_transfer.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_SIMPOL_phase_transfer.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_SIMPOL_phase_transfer.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_aqueous_equilibrium.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_aqueous_equilibrium.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_arrhenius.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_arrhenius.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_condensed_phase_arrhenius.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_condensed_phase_arrhenius.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_condensed_phase_photolysis.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_condensed_phase_photolysis.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_emission.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_emission.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_first_order_loss.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_first_order_loss.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_photolysis.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_photolysis.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_surface.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_surface.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_ternary_chemical_activation.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_ternary_chemical_activation.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_troe.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_troe.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_wennberg_no_ro2.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_wennberg_no_ro2.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_wennberg_tunneling.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_wennberg_tunneling.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_wet_deposition.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns/rxn_wet_deposition.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/rxns.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/solver_stats.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_model_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_model_factory.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_model_solver.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_model_solver.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_models/sub_model_PDFiTE.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_models/sub_model_PDFiTE.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_models/sub_model_UNIFAC.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_models/sub_model_UNIFAC.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_models/sub_model_ZSR_aerosol_water.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_models/sub_model_ZSR_aerosol_water.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/sub_models.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/time_derivative.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/time_derivative.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/util.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/camp/src/util.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/CMakeFilters.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/CMakeInstallation.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/CMakePlugins.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/CMakeTests.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/CMakeVOL.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/COPYING +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/CTestConfig.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/UserMacros.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/Makefile.am +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/README.md +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/ctest.qsub.in.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/ctestP.lsf.in.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/ctestP.sl.in.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/ctestS.lsf.in.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/ctestS.sl.in.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/ctest_parallel.cmake.in +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/ctest_serial.cmake.in +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/knl_ctestP.sl.in.cmake +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/hdf5/bin/batch/knl_ctestS.sl.in.cmake +0 -0
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- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunlinsol/sptfqmr/sunlinsol_sptfqmr.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunmatrix/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunmatrix/band/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunmatrix/band/sunmatrix_band.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunmatrix/dense/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunmatrix/dense/sunmatrix_dense.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunmatrix/sparse/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunmatrix/sparse/sunmatrix_sparse.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/fmod/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/fmod/fsunnonlinsol_fixedpoint_mod.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/fmod/fsunnonlinsol_fixedpoint_mod.f90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/fsunnonlinsol_fixedpoint.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/fsunnonlinsol_fixedpoint.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/sunnonlinsol_fixedpoint.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/newton/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/newton/fmod/CMakeLists.txt +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/newton/fmod/fsunnonlinsol_newton_mod.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/newton/fmod/fsunnonlinsol_newton_mod.f90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/newton/fsunnonlinsol_newton.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/newton/fsunnonlinsol_newton.h +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/gitmodules/sundials/src/sunnonlinsol/newton/sunnonlinsol_newton.c +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/pyproject.toml +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_binned.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_binned.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_data.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_dist.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_dist.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_mode.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_mode.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_particle.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_particle.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_state.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/aero_state.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/bin_grid.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/bin_grid.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/bin_grid.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/camp_core.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/camp_core.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/condense.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/condense.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/condense.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/env_state.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/env_state.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/gas_data.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/gas_data.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/gas_state.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/gas_state.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/getters.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/json_resource.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/json_resource.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/output.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/output.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/output.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/photolysis.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/photolysis.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/pmc_resource.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/pypartmc.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/rand.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/rand.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/rand.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_exact.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_exact.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_exact.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_exact_opt.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_exact_opt.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_part.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_part.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_part.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_part_opt.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_part_opt.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_sect.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_sect.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_sect.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_sect_opt.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/run_sect_opt.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/scenario.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/scenario.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/scenario.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/spec_file_pypartmc.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/spec_file_pypartmc.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/sys.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/sys.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/util.F90 +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/util.cpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/src/util.hpp +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/__init__.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/common.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/conftest.py +0 -0
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- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_aero_data.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_aero_dist.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_aero_mode.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_aero_particle.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_aero_state.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_bin_grid.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_camp_core.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_condense.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_dtors.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_env_state.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_gas_data.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_gas_state.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_help.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_input_guard.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_loss_rate.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_output.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_photolysis.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_rand.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_run_exact.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_run_exact_opt.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_run_part.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_run_part_opt.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_run_sect.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_run_sect_opt.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_scenario.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_units.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_util.py +0 -0
- {pypartmc-2.0.8 → pypartmc-2.1.0}/tests/test_version.py +0 -0
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+
_install(TARGETS partmclib
|
|
690
|
+
ARCHIVE DESTINATION PyPartMC/lib
|
|
691
|
+
)
|
|
692
|
+
|
|
693
|
+
execute_process(
|
|
694
|
+
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/src/PyPartMC
|
|
695
|
+
COMMAND ${Python_EXECUTABLE}
|
|
696
|
+
"-c"
|
|
697
|
+
"from __generate_si import __generate_si;\nsi=__generate_si(); print('#pragma once\\nstruct si {' + '\\n'.join([f'static constexpr auto {unit}={getattr(si, unit)};' for unit in dir(si) if type(getattr(si, unit)) == float]) + '};')"
|
|
698
|
+
OUTPUT_FILE ${CMAKE_BINARY_DIR}/si.hpp
|
|
699
|
+
)
|
|
700
|
+
|
|
701
|
+
_install(
|
|
702
|
+
FILES ${CMAKE_BINARY_DIR}/si.hpp
|
|
703
|
+
DESTINATION PyPartMC/include/PyPartMC
|
|
704
|
+
)
|
|
705
|
+
|
|
706
|
+
file(GLOB ALL_HPP_FILES "${CMAKE_CURRENT_SOURCE_DIR}/src/*.hpp")
|
|
707
|
+
|
|
708
|
+
file(WRITE ${CMAKE_BINARY_DIR}/PyPartMC.hpp "#pragma once\n")
|
|
709
|
+
|
|
710
|
+
foreach(HPP_FILE IN LISTS ALL_HPP_FILES)
|
|
711
|
+
get_filename_component(FILENAME ${HPP_FILE} NAME)
|
|
712
|
+
file(APPEND ${CMAKE_BINARY_DIR}/PyPartMC.hpp "#include <PyPartMC/${FILENAME}>\n")
|
|
713
|
+
endforeach()
|
|
714
|
+
|
|
715
|
+
_install(
|
|
716
|
+
FILES ${CMAKE_BINARY_DIR}/PyPartMC.hpp
|
|
717
|
+
DESTINATION PyPartMC/include/
|
|
718
|
+
)
|
|
719
|
+
|
|
720
|
+
_install(
|
|
721
|
+
DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/src/PyPartMC/cmake
|
|
722
|
+
DESTINATION PyPartMC
|
|
723
|
+
)
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
Metadata-Version: 2.4
|
|
2
2
|
Name: PyPartMC
|
|
3
|
-
Version: 2.0
|
|
3
|
+
Version: 2.1.0
|
|
4
4
|
Summary: Python interface to PartMC
|
|
5
5
|
Author-Email: "https://github.com/open-atmos/PyPartMC/graphs/contributors" <nriemer@illinois.edu>
|
|
6
6
|
License-Expression: GPL-3.0
|
|
@@ -38,7 +38,7 @@ Additionally, the ability to easily package examples, simple simulations, and re
|
|
|
38
38
|
instructors, and students, with nominal software and hardware requirements.
|
|
39
39
|
|
|
40
40
|
Documentation of PyPartMC is hosted at https://open-atmos.github.io/PyPartMC.
|
|
41
|
-
PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals.
|
|
41
|
+
PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals (C++ example below).
|
|
42
42
|
The Python API can facilitate using PartMC from other environments - see, e.g., Julia and Matlab examples below.
|
|
43
43
|
|
|
44
44
|
For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2024 (SoftwareX)](https://doi.org/10.1016/j.softx.2023.101613) (please cite if PyPartMC is used in your research).
|
|
@@ -202,7 +202,94 @@ aero_state.dist_sample(aero_dist)
|
|
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|
print(np.dot(aero_state.masses(), aero_state.num_concs), "# kg/m3")
|
|
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203
|
```
|
|
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204
|
|
|
205
|
+
#### C++
|
|
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|
+
|
|
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|
+
```cpp
|
|
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|
+
#include <iostream>
|
|
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|
+
#include <memory>
|
|
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|
+
#include <numeric>
|
|
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|
+
|
|
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|
+
#include "PyPartMC.hpp"
|
|
213
|
+
#include "PyPartMC/si.hpp"
|
|
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|
+
|
|
215
|
+
int main() {
|
|
216
|
+
auto aero_data = std::make_shared<AeroData>(nlohmann::json({
|
|
217
|
+
{ {"OC", {1000.0 * si::kg / (si::m * si::m * si::m), 0.0, 1e-3 * si::kg / si::mol, 0.001, 0.0, 0.0}} },
|
|
218
|
+
{ {"BC", {1800.0 * si::kg / (si::m * si::m * si::m), 0.0, 1e-3 * si::kg / si::mol, 0.0, 0.0, 0.0}} }
|
|
219
|
+
}));
|
|
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|
+
|
|
221
|
+
auto aero_dist = AeroDist(
|
|
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|
+
aero_data,
|
|
223
|
+
nlohmann::ordered_json::array({
|
|
224
|
+
nlohmann::ordered_json::object({
|
|
225
|
+
{"cooking", {
|
|
226
|
+
{"mass_frac", nlohmann::ordered_json::array({ nlohmann::ordered_json::object({{"OC", {1.0}}}) }) },
|
|
227
|
+
{"diam_type", "geometric"},
|
|
228
|
+
{"mode_type", "log_normal"},
|
|
229
|
+
{"num_conc", 3200.0 / (si::cm * si::cm * si::cm)},
|
|
230
|
+
{"geom_mean_diam", 8.64 * si::nm},
|
|
231
|
+
{"log10_geom_std_dev", 0.28}
|
|
232
|
+
}},
|
|
233
|
+
{"diesel", {
|
|
234
|
+
{"mass_frac", nlohmann::ordered_json::array({ nlohmann::ordered_json::object({{"OC", {0.3}}}), nlohmann::ordered_json::object({{"BC", {0.7}}}) }) },
|
|
235
|
+
{"diam_type", "geometric"},
|
|
236
|
+
{"mode_type", "log_normal"},
|
|
237
|
+
{"num_conc", 2900.0 / (si::cm * si::cm * si::cm)},
|
|
238
|
+
{"geom_mean_diam", 50.0 * si::nm},
|
|
239
|
+
{"log10_geom_std_dev", 0.24}
|
|
240
|
+
}}
|
|
241
|
+
})
|
|
242
|
+
})
|
|
243
|
+
);
|
|
244
|
+
|
|
245
|
+
int n_part = 100;
|
|
246
|
+
auto aero_state = AeroState(aero_data, n_part, "nummass_source");
|
|
247
|
+
|
|
248
|
+
AeroState::dist_sample(aero_state, aero_dist, 1.0, 0.0, true, true);
|
|
249
|
+
|
|
250
|
+
auto masses = AeroState::masses(aero_state, {}, {});
|
|
251
|
+
auto num_concs = AeroState::num_concs(aero_state);
|
|
252
|
+
|
|
253
|
+
double total_mass = std::inner_product(
|
|
254
|
+
std::begin(num_concs), std::end(num_concs),
|
|
255
|
+
std::begin(masses),
|
|
256
|
+
0.0
|
|
257
|
+
);
|
|
258
|
+
|
|
259
|
+
std::cout << std::scientific << total_mass << " # kg/m3\n";
|
|
260
|
+
|
|
261
|
+
return 0;
|
|
262
|
+
}
|
|
263
|
+
```
|
|
264
|
+
|
|
265
|
+
What can be compiled using CMake with following CMakeLists.txt:
|
|
266
|
+
|
|
267
|
+
```cmake
|
|
268
|
+
cmake_minimum_required(VERSION 3.22)
|
|
269
|
+
project(AeroSimulation LANGUAGES CXX)
|
|
270
|
+
|
|
271
|
+
enable_testing()
|
|
272
|
+
set(CMAKE_CXX_STANDARD 17)
|
|
273
|
+
|
|
274
|
+
find_package(Python 3.8 REQUIRED COMPONENTS Interpreter)
|
|
275
|
+
execute_process(
|
|
276
|
+
COMMAND ${Python_EXECUTABLE} -c "import PyPartMC, pathlib; print(pathlib.Path(PyPartMC.cmake_dir()).as_posix())"
|
|
277
|
+
OUTPUT_VARIABLE PYPARTMC_CMAKE_DIR
|
|
278
|
+
OUTPUT_STRIP_TRAILING_WHITESPACE
|
|
279
|
+
)
|
|
280
|
+
set(PyPartMC_DIR "${PYPARTMC_CMAKE_DIR}")
|
|
281
|
+
|
|
282
|
+
find_package(PyPartMC REQUIRED)
|
|
283
|
+
|
|
284
|
+
add_executable(my_test test.cpp)
|
|
285
|
+
target_link_libraries(my_test PRIVATE PyPartMC::PyPartMC)
|
|
286
|
+
pypartmc_setup_runtime(my_test)
|
|
287
|
+
|
|
288
|
+
add_test(NAME maketest COMMAND my_test)
|
|
289
|
+
```
|
|
290
|
+
|
|
205
291
|
#### Julia (using [PyCall.jl](https://github.com/JuliaPy/PyCall.jl))
|
|
292
|
+
|
|
206
293
|
```Julia
|
|
207
294
|
using Pkg
|
|
208
295
|
Pkg.add("PyCall")
|
|
@@ -12,7 +12,7 @@ Additionally, the ability to easily package examples, simple simulations, and re
|
|
|
12
12
|
instructors, and students, with nominal software and hardware requirements.
|
|
13
13
|
|
|
14
14
|
Documentation of PyPartMC is hosted at https://open-atmos.github.io/PyPartMC.
|
|
15
|
-
PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals.
|
|
15
|
+
PyPartMC is implemented in C++ and it also constitutes a C++ API to the PartMC Fortran internals (C++ example below).
|
|
16
16
|
The Python API can facilitate using PartMC from other environments - see, e.g., Julia and Matlab examples below.
|
|
17
17
|
|
|
18
18
|
For an outline of the project, rationale, architecture, and features, refer to: [D'Aquino et al., 2024 (SoftwareX)](https://doi.org/10.1016/j.softx.2023.101613) (please cite if PyPartMC is used in your research).
|
|
@@ -176,7 +176,94 @@ aero_state.dist_sample(aero_dist)
|
|
|
176
176
|
print(np.dot(aero_state.masses(), aero_state.num_concs), "# kg/m3")
|
|
177
177
|
```
|
|
178
178
|
|
|
179
|
+
#### C++
|
|
180
|
+
|
|
181
|
+
```cpp
|
|
182
|
+
#include <iostream>
|
|
183
|
+
#include <memory>
|
|
184
|
+
#include <numeric>
|
|
185
|
+
|
|
186
|
+
#include "PyPartMC.hpp"
|
|
187
|
+
#include "PyPartMC/si.hpp"
|
|
188
|
+
|
|
189
|
+
int main() {
|
|
190
|
+
auto aero_data = std::make_shared<AeroData>(nlohmann::json({
|
|
191
|
+
{ {"OC", {1000.0 * si::kg / (si::m * si::m * si::m), 0.0, 1e-3 * si::kg / si::mol, 0.001, 0.0, 0.0}} },
|
|
192
|
+
{ {"BC", {1800.0 * si::kg / (si::m * si::m * si::m), 0.0, 1e-3 * si::kg / si::mol, 0.0, 0.0, 0.0}} }
|
|
193
|
+
}));
|
|
194
|
+
|
|
195
|
+
auto aero_dist = AeroDist(
|
|
196
|
+
aero_data,
|
|
197
|
+
nlohmann::ordered_json::array({
|
|
198
|
+
nlohmann::ordered_json::object({
|
|
199
|
+
{"cooking", {
|
|
200
|
+
{"mass_frac", nlohmann::ordered_json::array({ nlohmann::ordered_json::object({{"OC", {1.0}}}) }) },
|
|
201
|
+
{"diam_type", "geometric"},
|
|
202
|
+
{"mode_type", "log_normal"},
|
|
203
|
+
{"num_conc", 3200.0 / (si::cm * si::cm * si::cm)},
|
|
204
|
+
{"geom_mean_diam", 8.64 * si::nm},
|
|
205
|
+
{"log10_geom_std_dev", 0.28}
|
|
206
|
+
}},
|
|
207
|
+
{"diesel", {
|
|
208
|
+
{"mass_frac", nlohmann::ordered_json::array({ nlohmann::ordered_json::object({{"OC", {0.3}}}), nlohmann::ordered_json::object({{"BC", {0.7}}}) }) },
|
|
209
|
+
{"diam_type", "geometric"},
|
|
210
|
+
{"mode_type", "log_normal"},
|
|
211
|
+
{"num_conc", 2900.0 / (si::cm * si::cm * si::cm)},
|
|
212
|
+
{"geom_mean_diam", 50.0 * si::nm},
|
|
213
|
+
{"log10_geom_std_dev", 0.24}
|
|
214
|
+
}}
|
|
215
|
+
})
|
|
216
|
+
})
|
|
217
|
+
);
|
|
218
|
+
|
|
219
|
+
int n_part = 100;
|
|
220
|
+
auto aero_state = AeroState(aero_data, n_part, "nummass_source");
|
|
221
|
+
|
|
222
|
+
AeroState::dist_sample(aero_state, aero_dist, 1.0, 0.0, true, true);
|
|
223
|
+
|
|
224
|
+
auto masses = AeroState::masses(aero_state, {}, {});
|
|
225
|
+
auto num_concs = AeroState::num_concs(aero_state);
|
|
226
|
+
|
|
227
|
+
double total_mass = std::inner_product(
|
|
228
|
+
std::begin(num_concs), std::end(num_concs),
|
|
229
|
+
std::begin(masses),
|
|
230
|
+
0.0
|
|
231
|
+
);
|
|
232
|
+
|
|
233
|
+
std::cout << std::scientific << total_mass << " # kg/m3\n";
|
|
234
|
+
|
|
235
|
+
return 0;
|
|
236
|
+
}
|
|
237
|
+
```
|
|
238
|
+
|
|
239
|
+
What can be compiled using CMake with following CMakeLists.txt:
|
|
240
|
+
|
|
241
|
+
```cmake
|
|
242
|
+
cmake_minimum_required(VERSION 3.22)
|
|
243
|
+
project(AeroSimulation LANGUAGES CXX)
|
|
244
|
+
|
|
245
|
+
enable_testing()
|
|
246
|
+
set(CMAKE_CXX_STANDARD 17)
|
|
247
|
+
|
|
248
|
+
find_package(Python 3.8 REQUIRED COMPONENTS Interpreter)
|
|
249
|
+
execute_process(
|
|
250
|
+
COMMAND ${Python_EXECUTABLE} -c "import PyPartMC, pathlib; print(pathlib.Path(PyPartMC.cmake_dir()).as_posix())"
|
|
251
|
+
OUTPUT_VARIABLE PYPARTMC_CMAKE_DIR
|
|
252
|
+
OUTPUT_STRIP_TRAILING_WHITESPACE
|
|
253
|
+
)
|
|
254
|
+
set(PyPartMC_DIR "${PYPARTMC_CMAKE_DIR}")
|
|
255
|
+
|
|
256
|
+
find_package(PyPartMC REQUIRED)
|
|
257
|
+
|
|
258
|
+
add_executable(my_test test.cpp)
|
|
259
|
+
target_link_libraries(my_test PRIVATE PyPartMC::PyPartMC)
|
|
260
|
+
pypartmc_setup_runtime(my_test)
|
|
261
|
+
|
|
262
|
+
add_test(NAME maketest COMMAND my_test)
|
|
263
|
+
```
|
|
264
|
+
|
|
179
265
|
#### Julia (using [PyCall.jl](https://github.com/JuliaPy/PyCall.jl))
|
|
266
|
+
|
|
180
267
|
```Julia
|
|
181
268
|
using Pkg
|
|
182
269
|
Pkg.add("PyCall")
|
|
@@ -108,7 +108,7 @@ jobs:
|
|
|
108
108
|
python3 -m pytest
|
|
109
109
|
|
|
110
110
|
free-threaded:
|
|
111
|
-
name: "Python 3.
|
|
111
|
+
name: "Python 3.14t / ubuntu-latest [free-threaded]"
|
|
112
112
|
runs-on: ubuntu-latest
|
|
113
113
|
|
|
114
114
|
steps:
|
|
@@ -116,10 +116,10 @@ jobs:
|
|
|
116
116
|
with:
|
|
117
117
|
submodules: true
|
|
118
118
|
|
|
119
|
-
-
|
|
119
|
+
- name: Setup Python 3.14t (free-threaded)
|
|
120
|
+
uses: actions/setup-python@v5
|
|
120
121
|
with:
|
|
121
|
-
python-version: 3.
|
|
122
|
-
nogil: true
|
|
122
|
+
python-version: '3.14t'
|
|
123
123
|
|
|
124
124
|
- name: Install the latest CMake
|
|
125
125
|
uses: lukka/get-cmake@latest
|
|
@@ -64,9 +64,6 @@ endif()
|
|
|
64
64
|
# Installation rules
|
|
65
65
|
# ---------------------------------------------------------------------------
|
|
66
66
|
if(NB_CREATE_INSTALL_RULES AND NOT CMAKE_SKIP_INSTALL_RULES)
|
|
67
|
-
# Silence warning in GNUInstallDirs due to no enabled languages
|
|
68
|
-
set(CMAKE_INSTALL_LIBDIR "")
|
|
69
|
-
include(GNUInstallDirs)
|
|
70
67
|
set(NB_INSTALL_DATADIR "nanobind"
|
|
71
68
|
CACHE PATH "Installation path for read-only architecture-independent nanobind data files")
|
|
72
69
|
|
|
@@ -735,7 +735,7 @@ section <ndarrays>`.
|
|
|
735
735
|
|
|
736
736
|
.. _ndarray_dynamic_constructor:
|
|
737
737
|
|
|
738
|
-
.. cpp:function:: ndarray(VoidPtr data, const std::initializer_list<size_t> shape = { }, handle owner = { }, std::initializer_list<int64_t> strides = { }, dlpack::dtype dtype = nanobind::dtype<Scalar>(), int32_t device_type = DeviceType, int32_t device_id = 0, char order = Order)
|
|
738
|
+
.. cpp:function:: ndarray(VoidPtr data, const std::initializer_list<size_t> shape = { }, handle owner = { }, std::initializer_list<int64_t> strides = { }, dlpack::dtype dtype = nanobind::dtype<Scalar>(), int32_t device_type = DeviceType, int32_t device_id = 0, char order = Order, uint64_t byte_offset = 0)
|
|
739
739
|
|
|
740
740
|
Create an array wrapping an existing memory allocation.
|
|
741
741
|
|
|
@@ -796,6 +796,11 @@ section <ndarrays>`.
|
|
|
796
796
|
implementation uses the order specified as an ndarray template
|
|
797
797
|
argument, or C-style order as a fallback.
|
|
798
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- `byte_offset` specifies the DLPack ``DLTensor::byte_offset`` field in
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bytes. This is useful when `data` is an opaque device handle pointing to
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the start of an allocation, while the logical array begins later in the
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allocation.
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the targets of these initializer lists do not need to remain valid
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following the constructor call.
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@@ -805,7 +810,7 @@ section <ndarrays>`.
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The Python *global interpreter lock* (GIL) must be held when calling
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this function.
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-
.. cpp:function:: ndarray(VoidPtr data, size_t ndim, const size_t * shape, handle owner, const int64_t * strides = nullptr, dlpack::dtype dtype = nanobind::dtype<Scalar>(), int device_type = DeviceType, int device_id = 0, char order = Order)
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.. cpp:function:: ndarray(VoidPtr data, size_t ndim, const size_t * shape, handle owner, const int64_t * strides = nullptr, dlpack::dtype dtype = nanobind::dtype<Scalar>(), int device_type = DeviceType, int device_id = 0, char order = Order, uint64_t byte_offset = 0)
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Alternative form of the above constructor, which accepts the `shape`
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and `strides` arguments using pointers instead of initializer lists.
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@@ -879,6 +884,16 @@ section <ndarrays>`.
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Return a pointer to the array data.
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If :cpp:var:`ReadOnly` is true, a pointer-to-const is returned.
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.. cpp:function:: void * data_handle() const
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Return the raw DLPack ``DLTensor::data`` field without applying the byte
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offset. For non-CPU devices, this may be an opaque device handle such as
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an ``id<MTLBuffer>`` for :cpp:class:`device::metal <device::metal>`.
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.. cpp:function:: uint64_t byte_offset() const
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Return the DLPack ``DLTensor::byte_offset`` value in bytes.
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.. cpp:function:: template <typename... Args2> auto& operator()(Args2... indices)
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Return a reference to the element stored at the provided index/indices.
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@@ -21,7 +21,9 @@ Unreleased
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- The implicit :cpp:func:`.none() <arg::none>` annotation now also applies to
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``std::nullptr_t`` and ``std::monostate``-typed arguments
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-
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- Added ndarray ``dtype_code`` enumeration ``Bcomplex`` for complex bfloat16.
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Version 2.12.0 (Feb 25, 2026)
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-----------------------------
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- Added :cpp:class:`nb::memoryview` that wraps the Python ``memoryview`` type.
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----------------------------
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Low or extended-precision arithmetic types (e.g., ``int128``, ``float16``,
|
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``bfloat16``) are sometimes used
|
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+
``bfloat16``) are sometimes used, though they are not standardized in C++17.
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If you wish to exchange arrays based on such types, you must register a partial
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overload of ``nanobind::detail::dtype_traits`` to inform nanobind about it.
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You are expressively allowed to create partial overloads of this class despite
|
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-
|
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+
its being in the ``nanobind::detail`` namespace.
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For example, the following snippet makes ``_Float16`` (half-precision type that
|
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is natively supported on some hardware) available by providing
|
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@@ -561,12 +561,36 @@ is natively supported on some hardware) available by providing
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static constexpr dlpack::dtype value {
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(uint8_t) dlpack::dtype_code::Float, // type code
|
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16, // size in bits
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|
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1 // lanes (simd), usually set to 1
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1 // lanes (simd), usually always set to 1
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};
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|
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|
};
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570
|
+
For complex numbers, nanobind assumes the ``T`` in ``std::complex<T>`` is an
|
|
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|
+
IEEE floating-point type. Thus, above, it is not also necessary to specialize
|
|
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|
+
``dtype_traits<std::complex<_Float16>>``.
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|
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|
+
|
|
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|
+
To use ``bfloat16`` complex numbers, specialize ``dtype_traits`` for both the
|
|
575
|
+
real and complex C++ types:
|
|
576
|
+
|
|
577
|
+
.. code-block:: cpp
|
|
578
|
+
|
|
579
|
+
namespace nanobind::detail {
|
|
580
|
+
template<> struct dtype_traits<__bf16> {
|
|
581
|
+
static constexpr dlpack::dtype value{
|
|
582
|
+
/*code=*/static_cast<uint8_t>(dlpack::dtype_code::Bfloat),
|
|
583
|
+
/*bits=*/16, /*lanes=*/1};
|
|
584
|
+
static constexpr auto name = const_name("bfloat16");
|
|
585
|
+
};
|
|
586
|
+
template<> struct dtype_traits<std::complex<__bf16>> {
|
|
587
|
+
static constexpr dlpack::dtype value{
|
|
588
|
+
/*code=*/static_cast<uint8_t>(dlpack::dtype_code::Bcomplex),
|
|
589
|
+
/*bits=*/32, /*lanes=*/1};
|
|
590
|
+
static constexpr auto name = const_name("bcomplex32");
|
|
591
|
+
};
|
|
592
|
+
} // namespace nanobind::detail
|
|
593
|
+
|
|
570
594
|
.. _ndarray-views:
|
|
571
595
|
|
|
572
596
|
Fast array views
|
|
@@ -487,7 +487,7 @@ NB_CORE ndarray_handle *ndarray_create(void *data, size_t ndim,
|
|
|
487
487
|
const int64_t *strides,
|
|
488
488
|
dlpack::dtype dtype, bool ro,
|
|
489
489
|
int device, int device_id,
|
|
490
|
-
char order);
|
|
490
|
+
char order, uint64_t byte_offset);
|
|
491
491
|
|
|
492
492
|
/// Increase the reference count of the given ndarray object; returns a pointer
|
|
493
493
|
/// to the underlying DLTensor
|
|
@@ -27,7 +27,8 @@ enum class dtype_code : uint8_t {
|
|
|
27
27
|
Float8_E4M3FN = 10, Float8_E4M3FNUZ = 11, Float8_E5M2 = 12,
|
|
28
28
|
Float8_E5M2FNUZ = 13, Float8_E8M0FNU = 14,
|
|
29
29
|
Float6_E2M3FN = 15, Float6_E3M2FN = 16,
|
|
30
|
-
Float4_E2M1FN = 17
|
|
30
|
+
Float4_E2M1FN = 17,
|
|
31
|
+
Bcomplex = 18
|
|
31
32
|
};
|
|
32
33
|
|
|
33
34
|
struct device {
|
|
@@ -353,11 +354,12 @@ public:
|
|
|
353
354
|
dlpack::dtype dtype = nanobind::dtype<Scalar>(),
|
|
354
355
|
int device_type = DeviceType,
|
|
355
356
|
int device_id = 0,
|
|
356
|
-
char order = Order
|
|
357
|
+
char order = Order,
|
|
358
|
+
uint64_t byte_offset = 0) {
|
|
357
359
|
|
|
358
360
|
m_handle = detail::ndarray_create(
|
|
359
361
|
(void *) data, ndim, shape, owner.ptr(), strides, dtype,
|
|
360
|
-
ReadOnly, device_type, device_id, order);
|
|
362
|
+
ReadOnly, device_type, device_id, order, byte_offset);
|
|
361
363
|
|
|
362
364
|
m_dltensor = *detail::ndarray_inc_ref(m_handle);
|
|
363
365
|
}
|
|
@@ -369,7 +371,8 @@ public:
|
|
|
369
371
|
dlpack::dtype dtype = nanobind::dtype<Scalar>(),
|
|
370
372
|
int device_type = DeviceType,
|
|
371
373
|
int device_id = 0,
|
|
372
|
-
char order = Order
|
|
374
|
+
char order = Order,
|
|
375
|
+
uint64_t byte_offset = 0) {
|
|
373
376
|
|
|
374
377
|
size_t shape_size = shape.size();
|
|
375
378
|
|
|
@@ -392,7 +395,7 @@ public:
|
|
|
392
395
|
m_handle = detail::ndarray_create(
|
|
393
396
|
(void *) data, shape_size, shape_ptr, owner.ptr(),
|
|
394
397
|
(strides.size() == 0) ? nullptr : strides.begin(), dtype,
|
|
395
|
-
ReadOnly, device_type, device_id, order);
|
|
398
|
+
ReadOnly, device_type, device_id, order, byte_offset);
|
|
396
399
|
|
|
397
400
|
m_dltensor = *detail::ndarray_inc_ref(m_handle);
|
|
398
401
|
}
|
|
@@ -436,6 +439,8 @@ public:
|
|
|
436
439
|
bool is_valid() const { return m_handle != nullptr; }
|
|
437
440
|
int device_type() const { return (int) m_dltensor.device.device_type; }
|
|
438
441
|
int device_id() const { return (int) m_dltensor.device.device_id; }
|
|
442
|
+
void *data_handle() const { return m_dltensor.data; }
|
|
443
|
+
uint64_t byte_offset() const { return m_dltensor.byte_offset; }
|
|
439
444
|
detail::ndarray_handle *handle() const { return m_handle; }
|
|
440
445
|
|
|
441
446
|
size_t size() const {
|
|
@@ -456,7 +461,7 @@ public:
|
|
|
456
461
|
template <typename... Args2>
|
|
457
462
|
NB_INLINE auto& operator()(Args2... indices) const {
|
|
458
463
|
return *(Scalar *) ((uint8_t *) m_dltensor.data +
|
|
459
|
-
|
|
464
|
+
compute_byte_offset(indices...));
|
|
460
465
|
}
|
|
461
466
|
|
|
462
467
|
template <typename... Args2> NB_INLINE auto view() const {
|
|
@@ -492,7 +497,7 @@ public:
|
|
|
492
497
|
|
|
493
498
|
private:
|
|
494
499
|
template <typename... Args2>
|
|
495
|
-
NB_INLINE int64_t
|
|
500
|
+
NB_INLINE int64_t compute_byte_offset(Args2... indices) const {
|
|
496
501
|
constexpr bool has_scalar = !std::is_void_v<Scalar>,
|
|
497
502
|
has_shape = Config::N != -1;
|
|
498
503
|
|