in-silico-cancer-cell 0.2.0__tar.gz → 0.2.4__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.
Files changed (111) hide show
  1. in_silico_cancer_cell-0.2.4/.github/workflows/main.yml +50 -0
  2. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/.github/workflows/maturin.yml +51 -24
  3. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/.gitignore +0 -2
  4. in_silico_cancer_cell-0.2.4/.gitmodules +3 -0
  5. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/.pre-commit-config.yaml +2 -2
  6. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/.vscode/launch.json +9 -0
  7. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/Cargo.lock +388 -387
  8. in_silico_cancer_cell-0.2.4/Cargo.toml +45 -0
  9. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/PKG-INFO +16 -4
  10. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/README.md +5 -1
  11. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/astro.config.mjs +7 -0
  12. in_silico_cancer_cell-0.2.4/bun.lock +1114 -0
  13. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/package.json +9 -8
  14. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/pyproject.toml +17 -21
  15. in_silico_cancer_cell-0.2.4/python/in_silico_cancer_cell/fit.py +52 -0
  16. in_silico_cancer_cell-0.2.4/python/in_silico_cancer_cell/plot.py +42 -0
  17. in_silico_cancer_cell-0.2.4/python/in_silico_cancer_cell/utils.py +16 -0
  18. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/cell.rs +89 -28
  19. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/base.rs +49 -5
  20. in_silico_cancer_cell-0.2.4/src/channels/custom.rs +0 -0
  21. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/constants.rs +6 -3
  22. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/lib.rs +1 -0
  23. in_silico_cancer_cell-0.2.4/src/main.rs +180 -0
  24. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/optimisation.rs +24 -15
  25. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/patchclampdata.rs +61 -9
  26. in_silico_cancer_cell-0.2.4/src/pulseprotocol.rs +146 -0
  27. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/utils.rs +35 -0
  28. in_silico_cancer_cell-0.2.4/tasks.py +60 -0
  29. in_silico_cancer_cell-0.2.4/uv.lock +941 -0
  30. in_silico_cancer_cell-0.2.0/.github/workflows/main.yml +0 -41
  31. in_silico_cancer_cell-0.2.0/Cargo.toml +0 -43
  32. in_silico_cancer_cell-0.2.0/figures/results/data-vs-simulation.pdf +0 -0
  33. in_silico_cancer_cell-0.2.0/literature/1998-potassium-channel.pdf +0 -0
  34. in_silico_cancer_cell-0.2.0/literature/2021-A549-model.pdf +44 -19184
  35. in_silico_cancer_cell-0.2.0/literature/sources.bib +0 -27
  36. in_silico_cancer_cell-0.2.0/main.py +0 -13
  37. in_silico_cancer_cell-0.2.0/poetry.lock +0 -870
  38. in_silico_cancer_cell-0.2.0/python/in_silico_cancer_cell/plot.py +0 -53
  39. in_silico_cancer_cell-0.2.0/report/.gitignore +0 -29
  40. in_silico_cancer_cell-0.2.0/report/graphics/sample-figure1.png +0 -0
  41. in_silico_cancer_cell-0.2.0/report/logos/Open_Access.eps +0 -0
  42. in_silico_cancer_cell-0.2.0/report/logos/Open_Access.pdf +0 -0
  43. in_silico_cancer_cell-0.2.0/report/logos/by.eps +0 -0
  44. in_silico_cancer_cell-0.2.0/report/logos/by.pdf +10 -6757
  45. in_silico_cancer_cell-0.2.0/report/logos/dg-degruyter.eps +0 -8284
  46. in_silico_cancer_cell-0.2.0/report/logos/dg-degruyter.pdf +0 -0
  47. in_silico_cancer_cell-0.2.0/report/report.pdf +0 -0
  48. in_silico_cancer_cell-0.2.0/report/report.tex +0 -140
  49. in_silico_cancer_cell-0.2.0/src/main.rs +0 -96
  50. in_silico_cancer_cell-0.2.0/src/pulseprotocol.rs +0 -71
  51. in_silico_cancer_cell-0.2.0/yarn.lock +0 -4026
  52. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/.editorconfig +0 -0
  53. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/.rustfmt.toml +0 -0
  54. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/.vscode/extensions.json +0 -0
  55. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_1.mat +0 -0
  56. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_10.mat +0 -0
  57. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_11.mat +0 -0
  58. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_2.mat +0 -0
  59. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_3.mat +0 -0
  60. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_4.mat +0 -0
  61. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_5.mat +0 -0
  62. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_6.mat +0 -0
  63. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_7.mat +0 -0
  64. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_8.mat +0 -0
  65. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG0_9.mat +0 -0
  66. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG1_1.mat +0 -0
  67. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG1_2.mat +0 -0
  68. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG1_3.mat +0 -0
  69. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG1_4.mat +0 -0
  70. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/mG1_5.mat +0 -0
  71. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/patch_clamp_data.mat +0 -0
  72. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/experimental/time_vector_measure.mat +0 -0
  73. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/provision/patch_clamp_data_activation.mat +0 -0
  74. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/provision/patch_clamp_data_deactivation.mat +0 -0
  75. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/data/provision/patch_clamp_data_ramp.mat +0 -0
  76. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/A549 in-silico main.m +0 -0
  77. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/CLC_2.m +0 -0
  78. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/CRAC1.m +0 -0
  79. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/KCa_1_1.m +0 -0
  80. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/KCa_3_1.m +0 -0
  81. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/Kv_1_3.m +0 -0
  82. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/Kv_3_1.m +0 -0
  83. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/Kv_3_4.m +0 -0
  84. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/Kv_7_1.m +0 -0
  85. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/P_CRAC1.m +0 -0
  86. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/TASK1.m +0 -0
  87. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/TRPV_3.m +0 -0
  88. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/load_patch_clamp_data.m +0 -0
  89. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/model_evaluation.m +0 -0
  90. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/optimization.m +0 -0
  91. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/simulate_pulse_protocol.m +0 -0
  92. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/simulate_pulse_protocol_TRPC.m +0 -0
  93. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/matlab/simulate_pulse_protocol_TRPV.m +0 -0
  94. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/public/favicon.svg +0 -0
  95. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/python/in_silico_cancer_cell/__init__.py +0 -0
  96. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/python/in_silico_cancer_cell/_in_rusty_silico.pyi +0 -0
  97. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/python/in_silico_cancer_cell/py.typed +0 -0
  98. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/python/tests/test_all.py +0 -0
  99. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/rust-toolchain.toml +0 -0
  100. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/clc2.rs +0 -0
  101. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/crac1.rs +0 -0
  102. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/kca11.rs +0 -0
  103. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/kca31.rs +0 -0
  104. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/kv13.rs +0 -0
  105. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/kv31.rs +0 -0
  106. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/kv34.rs +0 -0
  107. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/kv71.rs +0 -0
  108. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/mod.rs +0 -0
  109. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/task1.rs +0 -0
  110. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/trpc6.rs +0 -0
  111. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.4}/src/channels/trpv3.rs +0 -0
@@ -0,0 +1,50 @@
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+ name: Build Main, Frontend and Deploy
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+ on:
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+ push:
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+ env:
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+ CARGO_TERM_COLOR: always
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+ jobs:
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+ build:
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+ strategy:
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+ matrix:
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+ include:
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+ - target: x86_64-unknown-linux-gnu
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+ os: ubuntu-latest
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+ - target: x86_64-pc-windows-msvc
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+ os: windows-latest
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+ runs-on: ${{ matrix.os }}
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+
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+ steps:
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+ - uses: actions/checkout@v4
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+ - run: rustup toolchain install nightly --profile minimal
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+ - uses: Swatinem/rust-cache@v2
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+
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+ # builds main.rs
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+ - name: Build project
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+ run: cargo build --release --target=${{ matrix.target }}
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+
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+ # builds frontend with wasm-pack
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+ - uses: oven-sh/setup-bun@v2
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+ - run: bun install --frozen-lockfile # also include the "dev" dependencies (e.g. wasm-pack)
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+ - run: bun run wasm-pack build frontend --release
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+ - run: |
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+ cargo run --release --target=${{ matrix.target }} -- --protocol activation --phase g0 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol deactivation --phase g0 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol ramp --phase g0 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol activation --phase g1 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol deactivation --phase g1 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol ramp --phase g1 save-patch-clamp-data
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+ echo "[]" > frontend/pkg/delta-tolerance.json
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+ - run: bun run build
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+ # deploy to Netlify
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+ - uses: jsmrcaga/action-netlify-deploy@master
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+ # if: startsWith(github.ref, 'refs/tags/') && runner.os == 'Linux'
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+ if: runner.os == 'Linux'
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+ with:
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+ NETLIFY_AUTH_TOKEN: ${{ secrets.NETLIFY_AUTH_TOKEN }}
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+ NETLIFY_SITE_ID: ${{ secrets.NETLIFY_SITE_ID }}
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+ NETLIFY_DEPLOY_MESSAGE: "Production deploy v${{ github.ref }}"
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+ NETLIFY_DEPLOY_TO_PROD: true
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+ install_command: "echo Skipping..."
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+ build_command: "echo Skipping..."
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+ build_directory: dist/
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- # This file is autogenerated by maturin v1.5.1
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+ # This file is autogenerated by maturin v1.10.2
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  # To update, run
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  #
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  # maturin generate-ci github
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  platform:
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  - runner: ubuntu-latest
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  target: x86_64
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- # - runner: ubuntu-latest
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- # target: aarch64
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- # - runner: ubuntu-latest
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- # target: armv7
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- # - runner: ubuntu-latest
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- # target: s390x
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- # - runner: ubuntu-latest
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- # target: ppc64le
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  steps:
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  - uses: actions/checkout@v4
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  - uses: actions/setup-python@v5
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  with:
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- python-version: "3.10"
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+ python-version: 3.x
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  - name: Build wheels
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  uses: PyO3/maturin-action@v1
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  with:
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  args: --release --out dist --find-interpreter
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- sccache: "true"
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+ sccache: ${{ !startsWith(github.ref, 'refs/tags/') }}
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  manylinux: auto
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  - name: Upload wheels
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  uses: actions/upload-artifact@v4
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  name: wheels-linux-${{ matrix.platform.target }}
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  path: dist
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+ musllinux:
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+ runs-on: ${{ matrix.platform.runner }}
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+ strategy:
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+ matrix:
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+ platform:
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+ - runner: ubuntu-latest
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+ target: x86_64
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+ steps:
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+ - uses: actions/checkout@v4
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+ - uses: actions/setup-python@v5
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+ with:
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+ python-version: 3.x
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+ - name: Build wheels
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+ uses: PyO3/maturin-action@v1
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+ with:
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+ target: ${{ matrix.platform.target }}
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+ args: --release --out dist --find-interpreter
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+ sccache: ${{ !startsWith(github.ref, 'refs/tags/') }}
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+ manylinux: musllinux_1_2
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+ - name: Upload wheels
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+ uses: actions/upload-artifact@v4
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+ with:
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+ name: wheels-musllinux-${{ matrix.platform.target }}
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+ path: dist
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+
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  windows:
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  strategy:
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- # - runner: windows-latest
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- # target: x64
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+ - runner: windows-latest
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+ target: x64
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  steps:
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  with:
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  args: --release --out dist --find-interpreter
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- sccache: "true"
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+ sccache: ${{ !startsWith(github.ref, 'refs/tags/') }}
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  - name: Upload wheels
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  with:
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- - runner: macos-latest
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- target: x86_64
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- # - runner: macos-14
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- # target: aarch64
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+ - runner: macos-14
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+ target: aarch64
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  with:
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  args: --release --out dist --find-interpreter
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- sccache: "true"
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+ sccache: ${{ !startsWith(github.ref, 'refs/tags/') }}
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  uses: actions/upload-artifact@v4
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  with:
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  with:
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  command: sdist
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  args: --out dist
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- - name: Upload sdist
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+ - name: Upload sdist as a GitHub artifact
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  with:
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  release:
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  name: Release
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  runs-on: ubuntu-latest
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- if: startsWith(github.ref, 'refs/tags/')
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- needs: [linux, windows, macos, sdist]
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+ if: ${{ startsWith(github.ref, 'refs/tags/') || github.event_name == 'workflow_dispatch' }}
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+ needs: [linux, musllinux, windows, macos, sdist]
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+ permissions:
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+ # Use to sign the release artifacts
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+ id-token: write
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+ # Used to upload release artifacts
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+ contents: write
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+ # Used to generate artifact attestation
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+ attestations: write
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  steps:
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  - uses: actions/download-artifact@v4
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+ - name: Generate artifact attestation
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+ uses: actions/attest-build-provenance@v2
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+ with:
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+ subject-path: "wheels-*/*"
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  - name: Publish to PyPI
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+ if: ${{ startsWith(github.ref, 'refs/tags/') }}
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  uses: PyO3/maturin-action@v1
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  env:
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  .astro/
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  node_modules/
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  npm-debug.log*
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- yarn-debug.log*
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- yarn-error.log*
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  pnpm-debug.log*
13
11
 
14
12
  .env
@@ -0,0 +1,3 @@
1
+ [submodule "paper"]
2
+ path = paper
3
+ url = https://git@git.overleaf.com/6887c395dbab934264cd6ecf
@@ -18,7 +18,7 @@ repos:
18
18
  - id: fmt
19
19
  - id: cargo-check
20
20
  - repo: https://github.com/astral-sh/ruff-pre-commit
21
- rev: v0.3.7
21
+ rev: v0.5.0
22
22
  hooks:
23
23
  - id: ruff
24
24
  args:
@@ -31,7 +31,7 @@ repos:
31
31
  - id: python-no-eval
32
32
  - id: python-no-log-warn
33
33
  - repo: https://github.com/asottile/pyupgrade
34
- rev: v3.15.2
34
+ rev: v3.16.0
35
35
  hooks:
36
36
  - id: pyupgrade
37
37
  - repo: local
@@ -1,6 +1,15 @@
1
1
  {
2
2
  "version": "0.2.0",
3
3
  "configurations": [
4
+ {
5
+ "type": "lldb",
6
+ "request": "launch",
7
+ "name": "Cargo launch",
8
+ "cargo": {
9
+ "args": ["build"]
10
+ },
11
+ "args": ["single"]
12
+ },
4
13
  {
5
14
  "command": "./node_modules/.bin/astro dev",
6
15
  "name": "Development server",