musica 0.11.1.4__cp312-cp312-win_amd64.whl → 0.12.1__cp312-cp312-win_amd64.whl

musica/test/examples/v0/config.json

@@ -1,7 +0,0 @@
-{
-    "camp-files": [
-      "species.json",
-      "reactions.json"
-    ]
-  }
-  

musica/test/examples/v0/config.yaml

@@ -1,3 +0,0 @@
-camp-files:
-- species.yaml
-- reactions.yaml

musica/test/examples/v0/reactions.json

@@ -1,193 +0,0 @@
-{
-  "camp-data": [
-    {
-      "type": "MECHANISM",
-      "name": "music box interactive configuration",
-      "reactions": [
-        {
-          "type": "PHOTOLYSIS",
-          "scaling factor": 1,
-          "MUSICA name": "foo",
-          "reactants": {
-            "foo": {}
-          },
-          "products": {
-            "buz": {
-              "yield": 1
-            },
-            "bar": {
-              "yield": 1
-            }
-          }
-        },
-        {
-          "type": "ARRHENIUS",
-          "A": 6e-34,
-          "Ea": 0,
-          "B": -2.4,
-          "D": 300,
-          "E": 0,
-          "reactants": {
-            "bar": {
-              "qty": 1
-            },
-            "quuz": {
-              "qty": 1
-            },
-            "M": {
-              "qty": 1
-            }
-          },
-          "products": {
-            "baz": {
-              "yield": 1
-            },
-            "M": {
-              "yield": 1
-            }
-          }
-        },
-        {
-          "type": "TROE",
-          "k0_A": 2.5e-31,
-          "k0_B": -1.8,
-          "k0_C": 0,
-          "kinf_A": 2.2e-11,
-          "kinf_B": -0.7,
-          "kinf_C": 0,
-          "Fc": 0.6,
-          "N": 1,
-          "reactants": {
-            "bar": {
-              "qty": 1
-            },
-            "foo": {
-              "qty": 1
-            }
-          },
-          "products": {
-            "baz": {
-              "yield": 1
-            }
-          }
-        },
-        {
-          "type": "EMISSION",
-          "scaling factor": 1,
-          "MUSICA name": "buz",
-          "species": "buz"
-        },
-        {
-          "type": "FIRST_ORDER_LOSS",
-          "species": "bar",
-          "MUSICA name": "bar",
-          "scaling factor": 2.5
-        },
-        {
-          "type": "TERNARY_CHEMICAL_ACTIVATION",
-          "reactants": {
-            "bar" : { },
-            "baz" : { }
-          },
-          "products": {
-            "bar": { "yield": 0.5 },
-            "foo": { }
-          },
-          "k0_A": 32.1,
-          "k0_B": -2.3,
-          "k0_C": 102.3,
-          "kinf_A": 63.4,
-          "kinf_B": -1.3,
-          "kinf_C": 908.5,
-          "Fc": 1.3,
-          "N": 32.1
-        },
-        {
-          "type": "BRANCHED",
-          "reactants": {
-            "foo" : { },
-            "quz" : { "qty" :2 }
-          },
-          "alkoxy products": {
-            "bar": { "yield": 1.0 },
-            "baz": { "yield": 3.2 }
-          },
-          "nitrate products": {
-            "quz": { "yield": 1.0 }
-          },
-          "Y" : 42.3,
-          "X" : 12.3,
-          "a0" : 1.0e-5,
-          "n" : 3
-        },
-        {
-          "type": "WENNBERG_NO_RO2",
-          "reactants": {
-            "bar" : { },
-            "baz" : { }
-          },
-          "alkoxy products": {
-            "baz": { }
-          },
-          "nitrate products": {
-            "bar": { "yield": 0.5 },
-            "foo": { }
-          },
-          "Y" : 2.3e8,
-          "X" : 0.32,
-          "a0" : 0.423,
-          "n" : 6
-        },
-        {
-          "type": "TUNNELING",
-          "reactants": {
-            "bar" : { },
-            "baz" : { }
-          },
-          "products": {
-            "bar": { "yield": 0.5 },
-            "foo": { }
-          },
-          "A": 32.1,
-          "B": -2.3,
-          "C": 102.3
-        },
-        {
-          "type": "WENNBERG_TUNNELING",
-          "reactants": {
-            "bar2" : { },
-            "baz2" : { }
-          },
-          "products": {
-            "bar2": { "yield": 0.5 },
-            "foo2": { }
-          },
-          "A": 2.1,
-          "B": -1.3,
-          "C": 12.3
-        },
-        {
-          "type": "SURFACE",
-          "gas-phase reactant": "bar",
-          "gas-phase products": {
-            "bar": { "yield": 0.5 },
-            "foo": { }
-          },
-          "reaction probability": 0.5,
-          "MUSICA name": "kbar"
-        },
-        {
-          "type": "USER_DEFINED",
-          "MUSICA name": "bar",
-          "reactants": { 
-            "foo" : { "qty": 2 }
-          },
-          "products": {
-            "bar" : { }
-          }, 
-          "scaling factor": 2.5
-        }
-      ]
-    }
-  ]
-}

musica/test/examples/v0/reactions.yaml

@@ -1,142 +0,0 @@
-camp-data:
-- name: music box interactive configuration
-  reactions:
-  - MUSICA name: foo
-    products:
-      bar:
-        yield: 1
-      buz:
-        yield: 1
-    reactants:
-      foo: {}
-    scaling factor: 1
-    type: PHOTOLYSIS
-  - A: 6.0e-34
-    B: -2.4
-    D: 300
-    E: 0
-    Ea: 0
-    products:
-      M:
-        yield: 1
-      baz:
-        yield: 1
-    reactants:
-      M:
-        qty: 1
-      bar:
-        qty: 1
-      quuz:
-        qty: 1
-    type: ARRHENIUS
-  - Fc: 0.6
-    N: 1
-    k0_A: 2.5e-31
-    k0_B: -1.8
-    k0_C: 0
-    kinf_A: 2.2e-11
-    kinf_B: -0.7
-    kinf_C: 0
-    products:
-      baz:
-        yield: 1
-    reactants:
-      bar:
-        qty: 1
-      foo:
-        qty: 1
-    type: TROE
-  - MUSICA name: buz
-    scaling factor: 1
-    species: buz
-    type: EMISSION
-  - MUSICA name: bar
-    scaling factor: 2.5
-    species: bar
-    type: FIRST_ORDER_LOSS
-  - Fc: 1.3
-    N: 32.1
-    k0_A: 32.1
-    k0_B: -2.3
-    k0_C: 102.3
-    kinf_A: 63.4
-    kinf_B: -1.3
-    kinf_C: 908.5
-    products:
-      bar:
-        yield: 0.5
-      foo: {}
-    reactants:
-      bar: {}
-      baz: {}
-    type: TERNARY_CHEMICAL_ACTIVATION
-  - X: 12.3
-    Y: 42.3
-    a0: 1.0e-05
-    alkoxy products:
-      bar:
-        yield: 1.0
-      baz:
-        yield: 3.2
-    n: 3
-    nitrate products:
-      quz:
-        yield: 1.0
-    reactants:
-      foo: {}
-      quz:
-        qty: 2
-    type: BRANCHED
-  - X: 0.32
-    Y: 230000000.0
-    a0: 0.423
-    alkoxy products:
-      baz: {}
-    n: 6
-    nitrate products:
-      bar:
-        yield: 0.5
-      foo: {}
-    reactants:
-      bar: {}
-      baz: {}
-    type: WENNBERG_NO_RO2
-  - A: 32.1
-    B: -2.3
-    C: 102.3
-    products:
-      bar:
-        yield: 0.5
-      foo: {}
-    reactants:
-      bar: {}
-      baz: {}
-    type: TUNNELING
-  - A: 2.1
-    B: -1.3
-    C: 12.3
-    products:
-      bar2:
-        yield: 0.5
-      foo2: {}
-    reactants:
-      bar2: {}
-      baz2: {}
-    type: WENNBERG_TUNNELING
-  - MUSICA name: kbar
-    gas-phase products:
-      bar:
-        yield: 0.5
-      foo: {}
-    gas-phase reactant: bar
-    reaction probability: 0.5
-    type: SURFACE
-  - MUSICA name: bar
-    products:
-      bar: {}
-    reactants:
-      foo:
-        qty: 2
-    scaling factor: 2.5
-    type: USER_DEFINED
-  type: MECHANISM

musica/test/examples/v0/species.json

@@ -1,40 +0,0 @@
-{
-  "camp-data": [
-    {
-      "name": "foo",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "bar",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "buz",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "quuz",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "foo2",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "bar2",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "baz",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "baz2",
-      "type": "CHEM_SPEC"
-    },
-    {
-      "name": "M",
-      "type": "CHEM_SPEC"
-    }
-  ]
-}

musica/test/examples/v0/species.yaml

@@ -1,19 +0,0 @@
-camp-data:
-- name: foo
-  type: CHEM_SPEC
-- name: bar
-  type: CHEM_SPEC
-- name: buz
-  type: CHEM_SPEC
-- name: quuz
-  type: CHEM_SPEC
-- name: foo2
-  type: CHEM_SPEC
-- name: bar2
-  type: CHEM_SPEC
-- name: baz
-  type: CHEM_SPEC
-- name: baz2
-  type: CHEM_SPEC
-- name: M
-  type: CHEM_SPEC

musica/test/tuvx.py

@@ -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

@@ -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-0.11.1.4.dist-info/RECORD

@@ -1,33 +0,0 @@
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-musica/gpu_binding.cpp,sha256=sv1_exUAhGRXY0kzT_q-f0Yl_GYgkYRKwmqWGSi0Qx8,238
-musica/mechanism_configuration.cpp,sha256=JXGAO3j1EEKYdswjrtX8J3KcI_YlfS9WGRmlMxctaDw,27619
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-musica/test/examples/v1/full_configuration/full_configuration.json,sha256=1-kr2bZJvfuENfy6FMfc5ZEOtgs_NhzHYeGrEGLqLMw,9240
-musica/test/examples/v1/full_configuration/full_configuration.yaml,sha256=9NSd8BUJnJ6CPjX9ZngqbFDEqUf1qG5ixbnQDO2m79k,5505
-musica/test/test_analytical.py,sha256=6-H8OKGj83qF9_JD_1XxcoHkljrWbZWNuzX5RAFIHuI,14125
-musica/test/test_chapman.py,sha256=t6p0CadUy-B4OP7A-EZ9Wz52diuYs5yc9LKiFUS9T6A,3651
-musica/test/test_parser.py,sha256=Pf-I4CSJ1aMfRl8meVsuIsLSXd-eOqZW_JM5_zjD-IA,24978
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-musica/types.py,sha256=GKQ9L68bGbid6qYEykmFVBOxYCptXztt9xsRvHFmGmo,15233
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-musica-0.11.1.4.dist-info/licenses/LICENSE,sha256=HrhfyXIkWY2tGFK11kg7vPCqhgh5DcxleloqdhrpyMY,11558
-musica-0.11.1.4.dist-info/RECORD,,