PyPI - musica - Versions diffs - 0.12.0__cp39-cp39-win_amd64.whl → 0.12.1__cp39-cp39-win_amd64.whl - Mend

musica 0.12.0__cp39-cp39-win_amd64.whl → 0.12.1__cp39-cp39-win_amd64.whl

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.

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Files changed (75) hide show

musica/CMakeLists.txt +28 -2
musica/__init__.py +9 -49
musica/_musica.cp39-win_amd64.pyd +0 -0
musica/_version.py +1 -1
musica/backend.py +41 -0
musica/binding_common.cpp +23 -6
musica/carma.cpp +911 -0
musica/carma.py +1729 -0
musica/constants.py +1 -1
musica/cpu_binding.cpp +2 -1
musica/cuda.py +4 -1
musica/examples/__init__.py +1 -0
musica/examples/carma_aluminum.py +123 -0
musica/examples/carma_sulfate.py +245 -0
musica/examples/examples.py +165 -0
musica/examples/sulfate_box_model.py +439 -0
musica/examples/ts1_latin_hypercube.py +245 -0
musica/gpu_binding.cpp +2 -1
musica/main.py +89 -0
musica/mechanism_configuration/__init__.py +1 -1
musica/mechanism_configuration/aqueous_equilibrium.py +227 -54
musica/mechanism_configuration/arrhenius.py +228 -42
musica/mechanism_configuration/branched.py +249 -66
musica/mechanism_configuration/condensed_phase_arrhenius.py +243 -50
musica/mechanism_configuration/condensed_phase_photolysis.py +16 -19
musica/mechanism_configuration/emission.py +10 -6
musica/mechanism_configuration/first_order_loss.py +133 -26
musica/mechanism_configuration/henrys_law.py +7 -48
musica/mechanism_configuration/mechanism_configuration.py +114 -41
musica/mechanism_configuration/phase.py +6 -2
musica/mechanism_configuration/photolysis.py +12 -7
musica/mechanism_configuration/reactions.py +20 -8
musica/mechanism_configuration/simpol_phase_transfer.py +180 -51
musica/mechanism_configuration/species.py +23 -4
musica/mechanism_configuration/surface.py +14 -9
musica/mechanism_configuration/ternary_chemical_activation.py +352 -0
musica/mechanism_configuration/troe.py +259 -44
musica/mechanism_configuration/tunneling.py +196 -49
musica/mechanism_configuration/user_defined.py +9 -4
musica/mechanism_configuration/wet_deposition.py +11 -8
musica/mechanism_configuration.cpp +184 -95
musica/musica.cpp +48 -61
musica/test/examples/v1/full_configuration/full_configuration.json +39 -22
musica/test/examples/v1/full_configuration/full_configuration.yaml +29 -20
musica/test/{test_analytical.py → integration/test_analytical.py} +0 -1
musica/test/integration/test_carma.py +227 -0
musica/test/integration/test_carma_aluminum.py +11 -0
musica/test/integration/test_carma_sulfate.py +16 -0
musica/test/integration/test_sulfate_box_model.py +34 -0
musica/test/integration/test_tuvx.py +62 -0
musica/test/unit/test_parser.py +64 -0
musica/test/{test_serializer.py → unit/test_serializer.py} +2 -2
musica/test/{test_util_full_mechanism.py → unit/test_util_full_mechanism.py} +152 -122
musica/tools/prepare_build_environment_linux.sh +39 -32
musica/tools/prepare_build_environment_macos.sh +1 -0
musica/tuvx.cpp +93 -0
musica/tuvx.py +199 -0
musica/types.py +104 -60
{musica-0.12.0.dist-info → musica-0.12.1.dist-info}/METADATA +40 -39
musica-0.12.1.dist-info/RECORD +69 -0
{musica-0.12.0.dist-info → musica-0.12.1.dist-info}/WHEEL +1 -1
musica-0.12.1.dist-info/entry_points.txt +3 -0
musica/test/examples/v0/config.json +0 -7
musica/test/examples/v0/config.yaml +0 -3
musica/test/examples/v0/reactions.json +0 -193
musica/test/examples/v0/reactions.yaml +0 -142
musica/test/examples/v0/species.json +0 -40
musica/test/examples/v0/species.yaml +0 -19
musica/test/test_parser.py +0 -57
musica/test/tuvx.py +0 -10
musica/tools/prepare_build_environment_windows.sh +0 -22
musica-0.12.0.dist-info/RECORD +0 -57
/musica/test/{test_chapman.py → integration/test_chapman.py} +0 -0
{musica-0.12.0.dist-info → musica-0.12.1.dist-info}/licenses/AUTHORS.md +0 -0
{musica-0.12.0.dist-info → musica-0.12.1.dist-info}/licenses/LICENSE +0 -0

musica/test/tuvx.py DELETED Viewed

@@ -1,10 +0,0 @@
-import pytest
-import musica
-def test_tuvx_run():
-    assert 1 != 0
-if __name__ == '__main__':
-    pytest.main()

musica/tools/prepare_build_environment_windows.sh DELETED Viewed

@@ -1,22 +0,0 @@
-#! /bin/bash
-set -e
-set -x
-CUDA_ROOT="C:/Program Files/NVIDIA GPU Computing Toolkit/CUDA/v12.8"
-# curl --netrc-optional -L -nv -o cuda.exe https://developer.download.nvidia.com/compute/cuda/12.2.2/local_installers/cuda_12.2.2_537.13_windows.exe
-curl --netrc-optional -L -nv -o cuda.exe https://developer.download.nvidia.com/compute/cuda/12.8.1/local_installers/cuda_12.8.1_572.61_windows.exe
-./cuda.exe -s nvcc_12.8 cudart_12.8 cublas_dev_12.8 curand_dev_12.8
-rm cuda.exe
-export CUDA_PATH="/c/Program Files/NVIDIA GPU Computing Toolkit/CUDA/v12.8"
-export PATH="$CUDA_PATH/bin:$PATH"
-ls "c/Program Files/NVIDIA GPU Computing Toolkit/CUDA/v12.8/extras/visual_studio_integration/MSBuildExtensions"
-ls "c/Program Files (x86)/Microsoft Visual Studio/"
-# choco install cuda
-ls "$CUDA_PATH"
-ls "$CUDA_PATH/bin"
-which nvcc.exe

musica-0.12.0.dist-info/RECORD DELETED Viewed

@@ -1,57 +0,0 @@
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-musica/cuda.cpp,sha256=oTG2ZnL-SiW2kx9eL4XJOQGJeIiGuy8tJ5BEoLRWL4M,358
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-musica/mechanism_configuration/__init__.py,sha256=WVIbDCgpAd-jH9TBPou-5tyrdxb5Vbm9Zl2h7xmNiQ8,38
-musica/mechanism_configuration/aqueous_equilibrium.py,sha256=O0QuSk-kwc4DKslOeiqgR0E2YrrJhl_BKI-CwNRQzlM,4861
-musica/mechanism_configuration/arrhenius.py,sha256=oEVg7_5XXpiiSeVEOW3_567gHVekvr8kADOBTSqFokM,5268
-musica/mechanism_configuration/branched.py,sha256=MjWJl86BbhJj7M85QRqhiFIyGwzI9u8R2z_oeOIvYLg,5331
-musica/mechanism_configuration/condensed_phase_arrhenius.py,sha256=rUluAt0z_Q79apJKnpC20Ng9Jk1wk5YPn8tvtzXv0wo,5477
-musica/mechanism_configuration/condensed_phase_photolysis.py,sha256=KTebLSs6Hakd4p4oqkGftHgC9QBIExIrMBS7qi0zk-Y,4483
-musica/mechanism_configuration/emission.py,sha256=ak45GY1NswB3P4BwDxRwIky73krz2vxds9t_rP8PxMI,3013
-musica/mechanism_configuration/first_order_loss.py,sha256=Ign87rhDSOiIWV0fSKhHBP1dNvjwBVoXkZ8_H17pE8g,3115
-musica/mechanism_configuration/henrys_law.py,sha256=tbyKP0p_wI7KzmQHaBnjIbdeObu9LzG9fwMDxJBgWZA,4266
-musica/mechanism_configuration/mechanism_configuration.py,sha256=pfDOUxZyyYNYrBzl-Lg_CoWtvQ4Dst5NMubalFVpkdY,7028
-musica/mechanism_configuration/phase.py,sha256=fN8sicZTRVAcFE4djXaj5Pu_pnb-cjA-BymSx38R16Y,1582
-musica/mechanism_configuration/photolysis.py,sha256=nh_0VXWeIqaBugox-anTbbVpqKikKrLQZzhLmaJJk_A,3827
-musica/mechanism_configuration/reactions.py,sha256=jLGo1ZfD_k3EVRBjIvn6LNGZ-oELLittgAB1tdDB0po,1735
-musica/mechanism_configuration/simpol_phase_transfer.py,sha256=AkKgMyCnLmF3n4ueLi470me8jj2Khd0bOuqj7bbJG68,4335
-musica/mechanism_configuration/species.py,sha256=-Rzfyg5Kg5DzLVoAF5exxAuygilvp2HILu-1iZJFXXM,3995
-musica/mechanism_configuration/surface.py,sha256=nYMdIPtgo3XwPG4zht-BNEY7MOf5rWQ15GMpH0HUo0E,4274
-musica/mechanism_configuration/troe.py,sha256=mtVAJcjF9jX3_3q8Z8rG47DvOIrEMB2e6BtSDImOJQA,6713
-musica/mechanism_configuration/tunneling.py,sha256=KVJD7Ej7PecdP0Q4orm8PzMQtgFyHJhSQnFh17qjmgo,4408
-musica/mechanism_configuration/user_defined.py,sha256=7p7xGbAous_3Ef2qfNnc8d63g0G86GpPOGl-GmGRvrs,3835
-musica/mechanism_configuration/utils.py,sha256=dhMFrydNchhdRrfeJw35oJB8Y5oQJa6p65Z7I127P-8,356
-musica/mechanism_configuration/wet_deposition.py,sha256=_9xKNyHFZpfKPBbpi0L_Hi2dilBZIPAMw1rXY2VmUcs,2232
-musica/mechanism_configuration.cpp,sha256=OI1Ua3xypbSe7dPfL50J9qCyHY1b809bRv1DdXu31Iw,27552
-musica/musica.cpp,sha256=w6kI-mrUqNbJPeYuuPzzsDrb7GsHy2bKNoOt0b8tJTY,8614
-musica/test/examples/v0/config.json,sha256=JDQdrDNRmRXGYlytX1uiSDV1lkYIAneLwlodHKFw-os,85
-musica/test/examples/v0/config.yaml,sha256=r31QbiFE2YDudGxLGpTKnpyveTnlfXeLgJ2qSrQddDY,47
-musica/test/examples/v0/reactions.json,sha256=SmRUE5XOAv0h3HOWg4Fb1swBiZvZ-1hsIrmMCJqEVIk,4380
-musica/test/examples/v0/reactions.yaml,sha256=5QeEkhjeAL_rXxNYCLOuqDUudTmgwLW3NERDupKpj6s,2408
-musica/test/examples/v0/species.json,sha256=klFuYb2vAtWdHfHJVYuIuPe_6LHRTuB0Aw29YhwfCFc,604
-musica/test/examples/v0/species.yaml,sha256=ECT9DDa2GMwhSRaRLxjOiCATTKkTRTPwugRsUjHSytY,302
-musica/test/examples/v1/full_configuration/full_configuration.json,sha256=QgCno36VZANP1FcH25ogeYuBtnesdFcc7Mj6CztK4Ds,9660
-musica/test/examples/v1/full_configuration/full_configuration.yaml,sha256=I-eMC2jSCRQ8AvV2WQeF2y96A6ouNDLrvPjvRZV-AXc,5820
-musica/test/test_analytical.py,sha256=domkY4O00RplSdnFvssqUGtPyoXQiV0cfRaLH3gsQ2c,14131
-musica/test/test_chapman.py,sha256=t6p0CadUy-B4OP7A-EZ9Wz52diuYs5yc9LKiFUS9T6A,3651
-musica/test/test_parser.py,sha256=1lL2DZ7ZT1IBGKG3aAc1P_z5GW3u8oBgP6vn3tGr150,2316
-musica/test/test_serializer.py,sha256=mVOXgUFiN5OmCK-8ramsd4hLAYjgvunqBElRbs6nzyM,2535
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-musica/test/tuvx.py,sha256=L8X7rJ09HiRlrhLK6fjircI8tGHnFCZJzVow8He5YOE,126
-musica/tools/prepare_build_environment_linux.sh,sha256=kdcBj9qELh811OzY8o5tQDAnLXJFXqzwIkZmkRAcLFY,1500
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-musica/tools/repair_wheel_gpu.sh,sha256=nQueyGNC2qWcBAicjVdAfB6JH4m_51dFOG83vVxke54,1525
-musica/types.py,sha256=aBDIOOF9I3u7_drTJebln0O88z0z9dfRNGWhAhP8_7o,15148
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-musica-0.12.0.dist-info/RECORD,,

/musica/test/{test_chapman.py → integration/test_chapman.py} RENAMED Viewed

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{musica-0.12.0.dist-info → musica-0.12.1.dist-info}/licenses/AUTHORS.md RENAMED Viewed

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{musica-0.12.0.dist-info → musica-0.12.1.dist-info}/licenses/LICENSE RENAMED Viewed

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