PyPartMC 1.3.0__tar.gz → 1.3.2__tar.gz
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- pypartmc-1.3.2/CODE_OF_CONDUCT.md +40 -0
- pypartmc-1.3.2/CONTRIBUTING.md +71 -0
- {pypartmc-1.3.0/PyPartMC.egg-info → pypartmc-1.3.2}/PKG-INFO +2 -68
- {pypartmc-1.3.0 → pypartmc-1.3.2}/PyPartMC/__init__.py +4 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2/PyPartMC.egg-info}/PKG-INFO +2 -68
- {pypartmc-1.3.0 → pypartmc-1.3.2}/PyPartMC.egg-info/SOURCES.txt +2 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/README.md +1 -67
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/partmc/src/partmc.F90 +21 -357
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/partmc/src/run_exact.F90 +74 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/partmc/src/run_part.F90 +360 -2
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/partmc/src/run_sect.F90 +76 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_state.hpp +11 -1
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/run_part.cpp +14 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/run_part_opt.hpp +3 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_aero_state.py +34 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_output.py +2 -2
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_run_part.py +66 -3
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.binder/postBuild +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.binder/requirements.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/cancel.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/conda.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/cpplint.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/forlint.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/pdoc.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/pre-commit.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/pylint.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/readme_listings.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/stale.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.github/workflows/tests+pypi.yml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.gitignore +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.gitmodules +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.pre-commit-config.yaml +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/.zenodo.json +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/CITATION.cff +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/CMakeLists.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/LICENSE +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/MANIFEST.in +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/PyPartMC.egg-info/dependency_links.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/PyPartMC.egg-info/not-zip-safe +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/PyPartMC.egg-info/requires.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/PyPartMC.egg-info/top_level.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/cloud_parcel.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/hello_world.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/lognorm_ex.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/mie_optical.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/particle_simulation.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/process_simulation_output.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/terminal_velocities.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/examples/widgets_playground.ipynb +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Include/amd.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Include/amd_internal.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd.f +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_1.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_2.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_aat.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_control.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_defaults.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_dump.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_global.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_info.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_order.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_post_tree.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_postorder.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_preprocess.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amd_valid.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/AMD/Source/amdbar.f +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/BTF/Include/btf.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/BTF/Include/btf_internal.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/BTF/Source/btf_maxtrans.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/BTF/Source/btf_order.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/BTF/Source/btf_strongcomp.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/COLAMD/Include/colamd.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/COLAMD/Source/colamd.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Include/klu.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Include/klu_internal.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Include/klu_version.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_analyze.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_analyze_given.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_defaults.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_diagnostics.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_dump.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_extract.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_factor.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_free_numeric.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_free_symbolic.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_kernel.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_memory.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_refactor.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_scale.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_solve.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_sort.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/KLU/Source/klu_tsolve.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/LICENSE.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/SuiteSparse_config/SuiteSparse_config.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/SuiteSparse/SuiteSparse_config/SuiteSparse_config.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/CMakeLists.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/COPYING +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/Jacobian.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/Jacobian.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_phase_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_phase_solver.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_phase_solver.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_rep_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_rep_factory.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_rep_solver.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_rep_solver.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_reps/aero_rep_modal_binned_mass.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_reps/aero_rep_modal_binned_mass.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_reps/aero_rep_single_particle.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_reps/aero_rep_single_particle.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/aero_reps.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/camp_common.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/camp_core.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/camp_debug.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/camp_solver.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/camp_solver.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/camp_solver_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/camp_state.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/chem_spec_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/constants.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/debug_diff_check.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/debug_diff_check.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/debug_diff_check.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/env_state.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/mechanism_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/mpi.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/property.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rand.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rand_gsl.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxn_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxn_factory.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxn_solver.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxn_solver.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_CMAQ_H2O2.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_CMAQ_H2O2.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_CMAQ_OH_HNO3.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_CMAQ_OH_HNO3.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_HL_phase_transfer.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_HL_phase_transfer.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_SIMPOL_phase_transfer.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_SIMPOL_phase_transfer.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_aqueous_equilibrium.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_aqueous_equilibrium.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_arrhenius.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_arrhenius.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_condensed_phase_arrhenius.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_condensed_phase_arrhenius.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_condensed_phase_photolysis.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_condensed_phase_photolysis.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_emission.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_emission.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_first_order_loss.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_first_order_loss.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_photolysis.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_photolysis.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_surface.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_surface.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_ternary_chemical_activation.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_ternary_chemical_activation.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_troe.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_troe.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_wennberg_no_ro2.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_wennberg_no_ro2.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_wennberg_tunneling.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_wennberg_tunneling.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_wet_deposition.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns/rxn_wet_deposition.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/rxns.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/solver_stats.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_model_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_model_factory.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_model_solver.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_model_solver.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_models/sub_model_PDFiTE.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_models/sub_model_PDFiTE.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_models/sub_model_UNIFAC.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_models/sub_model_UNIFAC.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_models/sub_model_ZSR_aerosol_water.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_models/sub_model_ZSR_aerosol_water.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/sub_models.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/time_derivative.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/time_derivative.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/util.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/camp/src/util.h +0 -0
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- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/fsunnonlinsol_fixedpoint.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/fixedpoint/sunnonlinsol_fixedpoint.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/newton/CMakeLists.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/newton/fmod/CMakeLists.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/newton/fmod/fsunnonlinsol_newton_mod.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/newton/fmod/fsunnonlinsol_newton_mod.f90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/newton/fsunnonlinsol_newton.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/newton/fsunnonlinsol_newton.h +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/gitmodules/sundials/src/sunnonlinsol/newton/sunnonlinsol_newton.c +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/readme_fortran/CMakeLists.txt +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/readme_fortran/aero_data.dat +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/readme_fortran/aero_dist.dat +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/readme_fortran/cooking_comp.dat +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/readme_fortran/diesel_comp.dat +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/readme_fortran/main.f90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/setup.cfg +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/setup.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_data.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_dist.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_dist.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_mode.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_mode.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_particle.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_particle.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/aero_state.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/bin_grid.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/bin_grid.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/bin_grid.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/camp_core.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/camp_core.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/condense.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/condense.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/condense.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/env_state.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/env_state.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/gas_data.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/gas_data.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/gas_state.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/gas_state.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/json_resource.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/json_resource.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/output.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/output.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/output.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/photolysis.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/photolysis.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/pmc_resource.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/pypartmc.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/rand.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/rand.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/rand.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/run_part.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/run_part.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/run_part_opt.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/scenario.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/scenario.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/scenario.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/spec_file_pypartmc.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/spec_file_pypartmc.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/sys.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/sys.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/util.F90 +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/util.cpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/src/util.hpp +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/__init__.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/common.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/conftest.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_aero_data.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_aero_dist.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_aero_mode.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_aero_particle.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_bin_grid.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_condense.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_dtors.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_env_state.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_gas_data.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_gas_state.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_loss_rate.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_rand.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_run_part_opt.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_scenario.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_units.py +0 -0
- {pypartmc-1.3.0 → pypartmc-1.3.2}/tests/test_util.py +0 -0
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# Code of conduct for the PyPartMC open-source project
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As [contributors and maintainers of this project](https://github.com/open-atmos/PyPartMC/graphs/contributors),
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and in the interest of fostering an open and welcoming community, we pledge to respect all
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documentation, submitting pull requests or patches, and other activities.
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We are committed to making participation in this project a harassment-free experience for
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everyone, regardless of level of technical experience and regardless of any non-technical
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personal characteristic or identity trait (gender, religion, physicality, age, ethnicity,
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essentially **any**).
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fruitful and enriching collaboration experience and maintaining quality engineering
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standards. This Code of Conduct applies both within project spaces and in public spaces
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when an individual is representing the project or its community.
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permission);
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* Force developments (e.g., merging or releasing against expressed collaborators' comments
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against doing it);
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* Any form of harassing language of exclusion;
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* Other unethical or unprofessional conduct (if in doubt, ask!).
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or to ban temporarily or permanently any contributor for other behaviors that they deem
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inappropriate, threatening, offensive, or harmful. By adopting this Code of Conduct, project
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maintainers commit themselves to fairly, consistently and collaboratively applying these
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principles to every aspect of managing this project.
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Reporting actions that are violating the hereby Code of Conduct can be done publicly on the
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project GitHub space, or if needed, can be reported directly to any of the project maintainers
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(as of the time of writing: Sylwester Arabas, Zachary D'Aquino, Jeff Curtis, Nicole Riemer, et al.).
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privately reported incident.
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# notes for PyPartMC developers
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## Implementation outline
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- PyPartMC is written in C++, Fortran and uses [pybind11](https://pybind11.readthedocs.io/en/stable/) and [CMake](https://cmake.org/).
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- JSON support is handled with [nlohmann::json](https://github.com/nlohmann/json) and [pybind11_json](https://github.com/pybind/pybind11_json)
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- PartMC and selected parts of SUNDIALS are statically linked (and compiled in during `pip install` or `python -m build`)
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- C (SUNDIALS, netCDF), C++ (pybind11, ...) and Fortran (PartMC, CAMP, netCDF-fortran) dependencies are linked through [git submodules](https://github.com/open-atmos/PyPartMC/blob/main/.gitmodules)
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- MOSAIC dependency is optionally linked through setting the environmental variable `MOSAIC_HOME`
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- a [drop-in replacement of the PartMC spec file routines](https://github.com/open-atmos/PyPartMC/blob/main/src/spec_file_pypartmc.F90) is used for i/o from/to JSON
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## Implementation architecture
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```mermaid
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flowchart TD
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subgraph J ["Julia"]
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julia_user_code["Julia user code"] --> PyCall.jl
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end
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subgraph M ["Matlab"]
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matlab_user_code["Matlab user code"] --> matlab_python["Matlab built-in\nPython interface"]
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end
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subgraph P ["Python"]
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python_user_code -.-> NumPy
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python_user_code["Python user code"] ---> PyPartMC["pubind11-generated\nPyPartMC module"]
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matlab_python --> PyPartMC
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PyCall.jl --> PyPartMC
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end
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subgraph Cpp ["C++"]
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cpp_user_code["C++ user code"] ----> ppmc_cpp
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PyPartMC --> ppmc_cpp["PyPartMC-C++"]
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ppmc_cpp --> pybind11_json
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pybind11_json ---> nlohmann::JSON
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spec_file_pypartmc_cpp --> nlohmann::JSON
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end
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subgraph C ["C"]
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spec_file_pypartmc_c --> spec_file_pypartmc_cpp["SpecFile-C++"]
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ppmc_cpp --> ppmc_c["PyPartMC-C"]
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netCDF-C
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SUNDIALS
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camp_c["CAMP C code"]
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end
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subgraph Fortran ["Fortran"]
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PartMC -....-> MOSAIC
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ppmc_c --> ppmc_f["PyPartMC-F"]
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ppmc_f ---> PartMC
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PartMC --> netCDF-F
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netCDF-F --> netCDF-C
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PartMC --> SUNDIALS
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PartMC ---> camp_f
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camp_f["CAMP"] --> camp_c
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PartMC ----> spec_file_pypartmc_f[SpecFile-F]
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spec_file_pypartmc_f --> spec_file_pypartmc_c["SpecFile-C"]
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end
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style PartMC fill:#7ae7ff,stroke-width:2px,color:#2B2B2B
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```
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## How to debug
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```sh
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git clone --recursive git+https://github.com/open-atmos/PyPartMC.git
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cd PyPartMC
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DEBUG=1 VERBOSE=1 pip --verbose install -e .
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gdb python
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(gdb) run -m pytest -s -vv -We -p no:unraisableexception tests
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```
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## Pre-commit hooks
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PyPartMC codebase benefits from Pylint, Black and isort code analysis (which are all part of the CI workflows where we also use pre-commit hooks. The pre-commit hooks can be run locally, and then the resultant changes need to be staged before committing. To set up the hooks locally, install pre-commit via `pip install pre-commit` and set up the git hooks via `pre-commit install` (this needs to be done every time you clone the project). To run all pre-commit hooks, run `pre-commit run --all-files`. The `.pre-commit-config.yaml` file can be modified in case new hooks are to be added or existing ones need to be altered.
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Metadata-Version: 2.1
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Name: PyPartMC
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Version: 1.3.
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Version: 1.3.2
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Author: PyPartMC team (see https://github.com/open-atmos/PyPartMC/graphs/contributors)
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Author-email: nriemer@illinois.edu
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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).
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For a list of talks and other relevant resources, please see [project Wiki](https://github.com/open-atmos/PyPartMC/wiki/).
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If interested in contributing to PyPartMC, please have a look a the [notes for developers](https://github.com/open-atmos/PyPartMC/tree/main/CONTRIBUTING.md).
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[](https://asr.science.energy.gov/) [](https://www.ncn.gov.pl/?language=en)
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PyPartMC is used within the [test workflow of the PySDM project](https://github.com/atmos-cloud-sim-uj/PySDM/tree/main/tests/smoke_tests/box/partmc).
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## Implementation outline
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## Implementation architecture
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```mermaid
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flowchart TD
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end
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end
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subgraph P ["Python"]
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python_user_code -.-> NumPy
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subgraph Cpp ["C++"]
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ppmc_cpp --> pybind11_json
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pybind11_json ---> nlohmann::JSON
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spec_file_pypartmc_cpp --> nlohmann::JSON
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end
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subgraph C ["C"]
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spec_file_pypartmc_c --> spec_file_pypartmc_cpp["SpecFile-C++"]
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ppmc_cpp --> ppmc_c["PyPartMC-C"]
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netCDF-C
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SUNDIALS
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camp_c["CAMP C code"]
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end
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subgraph Fortran ["Fortran"]
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PartMC -....-> MOSAIC
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ppmc_f ---> PartMC
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PartMC --> netCDF-F
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netCDF-F --> netCDF-C
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PartMC ----> spec_file_pypartmc_f[SpecFile-F]
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spec_file_pypartmc_f --> spec_file_pypartmc_c["SpecFile-C"]
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end
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style PartMC fill:#7ae7ff,stroke-width:2px,color:#2B2B2B
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```
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## FAQ
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- Q: How to install PyPartMC with MOSAIC enabled?
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A: Installation can be done using `pip`, however, `pip` needs to be instructed not to use binary packages available at pypi.org but rather to compile from source (pip will download the source from pip.org), and the path to compiled MOSAIC library needs to be provided at compile-time; the following command should convey it:
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@@ -342,18 +288,6 @@ Could not find NC_M4 using the following names: m4, m4.exe
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```
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Try installing `m4` (e.g., using [MSYS2](https://packages.msys2.org/package/m4?repo=msys&variant=x86_64) on Windows).
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## Notes for developers
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#### How to debug
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```sh
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git clone --recursive git+https://github.com/open-atmos/PyPartMC.git
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cd PyPartMC
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DEBUG=1 VERBOSE=1 pip --verbose install -e .
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gdb python
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352
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(gdb) run -m pytest -s -vv -We -p no:unraisableexception tests
|
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353
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-
```
|
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|
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#### Pre-commit hooks
|
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355
|
-
PyPartMC codebase benefits from Pylint, Black and isort code analysis (which are all part of the CI workflows where we also use pre-commit hooks. The pre-commit hooks can be run locally, and then the resultant changes need to be staged before committing. To set up the hooks locally, install pre-commit via `pip install pre-commit` and set up the git hooks via `pre-commit install` (this needs to be done every time you clone the project). To run all pre-commit hooks, run `pre-commit run --all-files`. The `.pre-commit-config.yaml` file can be modified in case new hooks are to be added or existing ones need to be altered.
|
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## Credits
|
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#### PyPartMC:
|
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@@ -1,6 +1,6 @@
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1
1
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Metadata-Version: 2.1
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2
2
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Name: PyPartMC
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3
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-
Version: 1.3.
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3
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+
Version: 1.3.2
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Summary: Python interface to PartMC
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Author: PyPartMC team (see https://github.com/open-atmos/PyPartMC/graphs/contributors)
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Author-email: nriemer@illinois.edu
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@@ -29,6 +29,7 @@ The Python API can facilitate using PartMC from other environments - see, e.g.,
|
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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).
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For a list of talks and other relevant resources, please see [project Wiki](https://github.com/open-atmos/PyPartMC/wiki/).
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+
If interested in contributing to PyPartMC, please have a look a the [notes for developers](https://github.com/open-atmos/PyPartMC/tree/main/CONTRIBUTING.md).
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[](https://asr.science.energy.gov/) [](https://www.ncn.gov.pl/?language=en)
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@@ -246,61 +247,6 @@ fprintf('%g # kg/m3\n', dot([masses{:}], [num_concs{:}]))
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PyPartMC is used within the [test workflow of the PySDM project](https://github.com/atmos-cloud-sim-uj/PySDM/tree/main/tests/smoke_tests/box/partmc).
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## Implementation outline
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-
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-
- PyPartMC is written in C++, Fortran and uses [pybind11](https://pybind11.readthedocs.io/en/stable/) and [CMake](https://cmake.org/).
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-
- JSON support is handled with [nlohmann::json](https://github.com/nlohmann/json) and [pybind11_json](https://github.com/pybind/pybind11_json)
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-
- PartMC and selected parts of SUNDIALS are statically linked (and compiled in during `pip install` or `python -m build`)
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-
- C (SUNDIALS, netCDF), C++ (pybind11, ...) and Fortran (PartMC, CAMP, netCDF-fortran) dependencies are linked through [git submodules](https://github.com/open-atmos/PyPartMC/blob/main/.gitmodules)
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- MOSAIC dependency is optionally linked through setting the environmental variable `MOSAIC_HOME`
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- a [drop-in replacement of the PartMC spec file routines](https://github.com/open-atmos/PyPartMC/blob/main/src/spec_file_pypartmc.F90) is used for i/o from/to JSON
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-
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## Implementation architecture
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-
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```mermaid
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-
flowchart TD
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subgraph J ["Julia"]
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julia_user_code["Julia user code"] --> PyCall.jl
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-
end
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subgraph M ["Matlab"]
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matlab_user_code["Matlab user code"] --> matlab_python["Matlab built-in\nPython interface"]
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-
end
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|
-
subgraph P ["Python"]
|
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|
-
python_user_code -.-> NumPy
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|
-
python_user_code["Python user code"] ---> PyPartMC["pubind11-generated\nPyPartMC module"]
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|
-
matlab_python --> PyPartMC
|
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|
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PyCall.jl --> PyPartMC
|
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273
|
-
end
|
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|
-
subgraph Cpp ["C++"]
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|
-
cpp_user_code["C++ user code"] ----> ppmc_cpp
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-
PyPartMC --> ppmc_cpp["PyPartMC-C++"]
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|
-
ppmc_cpp --> pybind11_json
|
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278
|
-
pybind11_json ---> nlohmann::JSON
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279
|
-
spec_file_pypartmc_cpp --> nlohmann::JSON
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|
-
end
|
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|
-
subgraph C ["C"]
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|
-
spec_file_pypartmc_c --> spec_file_pypartmc_cpp["SpecFile-C++"]
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|
-
ppmc_cpp --> ppmc_c["PyPartMC-C"]
|
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|
-
netCDF-C
|
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|
-
SUNDIALS
|
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|
-
camp_c["CAMP C code"]
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287
|
-
end
|
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|
-
subgraph Fortran ["Fortran"]
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289
|
-
PartMC -....-> MOSAIC
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|
-
ppmc_c --> ppmc_f["PyPartMC-F"]
|
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291
|
-
ppmc_f ---> PartMC
|
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|
-
PartMC --> netCDF-F
|
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293
|
-
netCDF-F --> netCDF-C
|
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294
|
-
PartMC --> SUNDIALS
|
|
295
|
-
PartMC ---> camp_f
|
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296
|
-
camp_f["CAMP"] --> camp_c
|
|
297
|
-
PartMC ----> spec_file_pypartmc_f[SpecFile-F]
|
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|
-
spec_file_pypartmc_f --> spec_file_pypartmc_c["SpecFile-C"]
|
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299
|
-
end
|
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300
|
-
|
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|
-
style PartMC fill:#7ae7ff,stroke-width:2px,color:#2B2B2B
|
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|
-
```
|
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303
|
-
|
|
304
250
|
## FAQ
|
|
305
251
|
- Q: How to install PyPartMC with MOSAIC enabled?
|
|
306
252
|
A: Installation can be done using `pip`, however, `pip` needs to be instructed not to use binary packages available at pypi.org but rather to compile from source (pip will download the source from pip.org), and the path to compiled MOSAIC library needs to be provided at compile-time; the following command should convey it:
|
|
@@ -342,18 +288,6 @@ Could not find NC_M4 using the following names: m4, m4.exe
|
|
|
342
288
|
```
|
|
343
289
|
Try installing `m4` (e.g., using [MSYS2](https://packages.msys2.org/package/m4?repo=msys&variant=x86_64) on Windows).
|
|
344
290
|
|
|
345
|
-
## Notes for developers
|
|
346
|
-
#### How to debug
|
|
347
|
-
```sh
|
|
348
|
-
git clone --recursive git+https://github.com/open-atmos/PyPartMC.git
|
|
349
|
-
cd PyPartMC
|
|
350
|
-
DEBUG=1 VERBOSE=1 pip --verbose install -e .
|
|
351
|
-
gdb python
|
|
352
|
-
(gdb) run -m pytest -s -vv -We -p no:unraisableexception tests
|
|
353
|
-
```
|
|
354
|
-
#### Pre-commit hooks
|
|
355
|
-
PyPartMC codebase benefits from Pylint, Black and isort code analysis (which are all part of the CI workflows where we also use pre-commit hooks. The pre-commit hooks can be run locally, and then the resultant changes need to be staged before committing. To set up the hooks locally, install pre-commit via `pip install pre-commit` and set up the git hooks via `pre-commit install` (this needs to be done every time you clone the project). To run all pre-commit hooks, run `pre-commit run --all-files`. The `.pre-commit-config.yaml` file can be modified in case new hooks are to be added or existing ones need to be altered.
|
|
356
|
-
|
|
357
291
|
## Credits
|
|
358
292
|
|
|
359
293
|
#### PyPartMC:
|
|
@@ -9,6 +9,7 @@ The Python API can facilitate using PartMC from other environments - see, e.g.,
|
|
|
9
9
|
|
|
10
10
|
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).
|
|
11
11
|
For a list of talks and other relevant resources, please see [project Wiki](https://github.com/open-atmos/PyPartMC/wiki/).
|
|
12
|
+
If interested in contributing to PyPartMC, please have a look a the [notes for developers](https://github.com/open-atmos/PyPartMC/tree/main/CONTRIBUTING.md).
|
|
12
13
|
|
|
13
14
|
[](https://asr.science.energy.gov/) [](https://www.ncn.gov.pl/?language=en)
|
|
14
15
|
|
|
@@ -226,61 +227,6 @@ fprintf('%g # kg/m3\n', dot([masses{:}], [num_concs{:}]))
|
|
|
226
227
|
|
|
227
228
|
PyPartMC is used within the [test workflow of the PySDM project](https://github.com/atmos-cloud-sim-uj/PySDM/tree/main/tests/smoke_tests/box/partmc).
|
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|
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|
-
## Implementation outline
|
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|
-
|
|
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|
-
- PyPartMC is written in C++, Fortran and uses [pybind11](https://pybind11.readthedocs.io/en/stable/) and [CMake](https://cmake.org/).
|
|
232
|
-
- JSON support is handled with [nlohmann::json](https://github.com/nlohmann/json) and [pybind11_json](https://github.com/pybind/pybind11_json)
|
|
233
|
-
- PartMC and selected parts of SUNDIALS are statically linked (and compiled in during `pip install` or `python -m build`)
|
|
234
|
-
- C (SUNDIALS, netCDF), C++ (pybind11, ...) and Fortran (PartMC, CAMP, netCDF-fortran) dependencies are linked through [git submodules](https://github.com/open-atmos/PyPartMC/blob/main/.gitmodules)
|
|
235
|
-
- MOSAIC dependency is optionally linked through setting the environmental variable `MOSAIC_HOME`
|
|
236
|
-
- a [drop-in replacement of the PartMC spec file routines](https://github.com/open-atmos/PyPartMC/blob/main/src/spec_file_pypartmc.F90) is used for i/o from/to JSON
|
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237
|
-
|
|
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|
-
## Implementation architecture
|
|
239
|
-
|
|
240
|
-
```mermaid
|
|
241
|
-
flowchart TD
|
|
242
|
-
subgraph J ["Julia"]
|
|
243
|
-
julia_user_code["Julia user code"] --> PyCall.jl
|
|
244
|
-
end
|
|
245
|
-
subgraph M ["Matlab"]
|
|
246
|
-
matlab_user_code["Matlab user code"] --> matlab_python["Matlab built-in\nPython interface"]
|
|
247
|
-
end
|
|
248
|
-
subgraph P ["Python"]
|
|
249
|
-
python_user_code -.-> NumPy
|
|
250
|
-
python_user_code["Python user code"] ---> PyPartMC["pubind11-generated\nPyPartMC module"]
|
|
251
|
-
matlab_python --> PyPartMC
|
|
252
|
-
PyCall.jl --> PyPartMC
|
|
253
|
-
end
|
|
254
|
-
subgraph Cpp ["C++"]
|
|
255
|
-
cpp_user_code["C++ user code"] ----> ppmc_cpp
|
|
256
|
-
PyPartMC --> ppmc_cpp["PyPartMC-C++"]
|
|
257
|
-
ppmc_cpp --> pybind11_json
|
|
258
|
-
pybind11_json ---> nlohmann::JSON
|
|
259
|
-
spec_file_pypartmc_cpp --> nlohmann::JSON
|
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260
|
-
end
|
|
261
|
-
subgraph C ["C"]
|
|
262
|
-
spec_file_pypartmc_c --> spec_file_pypartmc_cpp["SpecFile-C++"]
|
|
263
|
-
ppmc_cpp --> ppmc_c["PyPartMC-C"]
|
|
264
|
-
netCDF-C
|
|
265
|
-
SUNDIALS
|
|
266
|
-
camp_c["CAMP C code"]
|
|
267
|
-
end
|
|
268
|
-
subgraph Fortran ["Fortran"]
|
|
269
|
-
PartMC -....-> MOSAIC
|
|
270
|
-
ppmc_c --> ppmc_f["PyPartMC-F"]
|
|
271
|
-
ppmc_f ---> PartMC
|
|
272
|
-
PartMC --> netCDF-F
|
|
273
|
-
netCDF-F --> netCDF-C
|
|
274
|
-
PartMC --> SUNDIALS
|
|
275
|
-
PartMC ---> camp_f
|
|
276
|
-
camp_f["CAMP"] --> camp_c
|
|
277
|
-
PartMC ----> spec_file_pypartmc_f[SpecFile-F]
|
|
278
|
-
spec_file_pypartmc_f --> spec_file_pypartmc_c["SpecFile-C"]
|
|
279
|
-
end
|
|
280
|
-
|
|
281
|
-
style PartMC fill:#7ae7ff,stroke-width:2px,color:#2B2B2B
|
|
282
|
-
```
|
|
283
|
-
|
|
284
230
|
## FAQ
|
|
285
231
|
- Q: How to install PyPartMC with MOSAIC enabled?
|
|
286
232
|
A: Installation can be done using `pip`, however, `pip` needs to be instructed not to use binary packages available at pypi.org but rather to compile from source (pip will download the source from pip.org), and the path to compiled MOSAIC library needs to be provided at compile-time; the following command should convey it:
|
|
@@ -322,18 +268,6 @@ Could not find NC_M4 using the following names: m4, m4.exe
|
|
|
322
268
|
```
|
|
323
269
|
Try installing `m4` (e.g., using [MSYS2](https://packages.msys2.org/package/m4?repo=msys&variant=x86_64) on Windows).
|
|
324
270
|
|
|
325
|
-
## Notes for developers
|
|
326
|
-
#### How to debug
|
|
327
|
-
```sh
|
|
328
|
-
git clone --recursive git+https://github.com/open-atmos/PyPartMC.git
|
|
329
|
-
cd PyPartMC
|
|
330
|
-
DEBUG=1 VERBOSE=1 pip --verbose install -e .
|
|
331
|
-
gdb python
|
|
332
|
-
(gdb) run -m pytest -s -vv -We -p no:unraisableexception tests
|
|
333
|
-
```
|
|
334
|
-
#### Pre-commit hooks
|
|
335
|
-
PyPartMC codebase benefits from Pylint, Black and isort code analysis (which are all part of the CI workflows where we also use pre-commit hooks. The pre-commit hooks can be run locally, and then the resultant changes need to be staged before committing. To set up the hooks locally, install pre-commit via `pip install pre-commit` and set up the git hooks via `pre-commit install` (this needs to be done every time you clone the project). To run all pre-commit hooks, run `pre-commit run --all-files`. The `.pre-commit-config.yaml` file can be modified in case new hooks are to be added or existing ones need to be altered.
|
|
336
|
-
|
|
337
271
|
## Credits
|
|
338
272
|
|
|
339
273
|
#### PyPartMC:
|