rust-sasa-python 0.6.0__tar.gz → 0.7.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (17) hide show
  1. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/Cargo.lock +3 -114
  2. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/Cargo.toml +2 -3
  3. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/PKG-INFO +1 -1
  4. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/src/lib.rs +0 -1
  5. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/.github/workflows/CI.yml +0 -0
  6. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/.gitignore +0 -0
  7. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/DOCS.md +0 -0
  8. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/LICENSE.md +0 -0
  9. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/README.md +0 -0
  10. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/example.cif +0 -0
  11. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/pyproject.toml +0 -0
  12. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/pytest.ini +0 -0
  13. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/rust_sasa_python.pyi +0 -0
  14. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/src/simd.rs +0 -0
  15. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/tests/__init__.py +0 -0
  16. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/tests/test_sasa.py +0 -0
  17. {rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/uv.lock +0 -0
{rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/Cargo.lock RENAMED
@@ -8,15 +8,6 @@ version = "1.0.2"
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  source = "registry+https://github.com/rust-lang/crates.io-index"
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  checksum = "f26201604c87b1e01bd3d98f8d5d9a8fcbb815e8cedb41ffccbeb4bf593a35fe"
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- [[package]]
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- name = "approx"
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- version = "0.5.1"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "cab112f0a86d568ea0e627cc1d6be74a1e9cd55214684db5561995f6dad897c6"
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- dependencies = [
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- "num-traits",
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- ]
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-
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  [[package]]
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  name = "autocfg"
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  version = "1.2.0"
@@ -197,16 +188,6 @@ dependencies = [
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  "libc",
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  ]
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- [[package]]
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- name = "matrixmultiply"
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- version = "0.3.8"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "7574c1cf36da4798ab73da5b215bbf444f50718207754cb522201d78d1cd0ff2"
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- dependencies = [
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- "autocfg",
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- "rawpointer",
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- ]
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-
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  name = "memoffset"
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  version = "0.9.1"
@@ -234,33 +215,6 @@ dependencies = [
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  "adler",
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  ]
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- [[package]]
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- name = "nalgebra"
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- version = "0.33.2"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "26aecdf64b707efd1310e3544d709c5c0ac61c13756046aaaba41be5c4f66a3b"
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- dependencies = [
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- "approx",
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- "matrixmultiply",
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- "nalgebra-macros",
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- "num-complex",
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- "num-rational",
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- "num-traits",
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- "simba",
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- "typenum",
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- ]
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-
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- [[package]]
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- name = "nalgebra-macros"
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- version = "0.2.2"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "254a5372af8fc138e36684761d3c0cdb758a4410e938babcff1c860ce14ddbfc"
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- dependencies = [
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- "proc-macro2 1.0.95",
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- "quote 1.0.36",
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- "syn",
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- ]
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-
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  name = "num-complex"
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  version = "0.4.6"
@@ -271,26 +225,6 @@ dependencies = [
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  "num-traits",
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  ]
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- [[package]]
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- name = "num-integer"
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- version = "0.1.46"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "7969661fd2958a5cb096e56c8e1ad0444ac2bbcd0061bd28660485a44879858f"
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- dependencies = [
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- "num-traits",
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- ]
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-
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- [[package]]
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- name = "num-rational"
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- version = "0.4.1"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "0638a1c9d0a3c0914158145bc76cff373a75a627e6ecbfb71cbe6f453a5a19b0"
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- dependencies = [
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- "autocfg",
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- "num-integer",
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- "num-traits",
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- ]
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-
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  name = "num-traits"
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  version = "0.2.18"
@@ -463,12 +397,6 @@ dependencies = [
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  "bitflags",
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  ]
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- [[package]]
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- name = "rawpointer"
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- version = "0.2.1"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "60a357793950651c4ed0f3f52338f53b2f809f32d83a07f72909fa13e4c6c1e3"
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-
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  name = "rayon"
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  version = "1.11.0"
@@ -508,9 +436,9 @@ dependencies = [
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  [[package]]
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  name = "rust-sasa"
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- version = "0.8.0"
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+ version = "0.9.0"
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  source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "1949e75286c54b35e81a2b7851d9c1094667adc60d2b66f00811fb2b53815ced"
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+ checksum = "a3d8e34bf1405b9d73f4099f90b19a7aed7e46018e03cbdc4d3a5e9eca133998"
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  dependencies = [
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  "fnv",
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  "pdbtbx",
@@ -521,10 +449,9 @@ dependencies = [
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  [[package]]
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  name = "rust-sasa-python"
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- version = "0.6.0"
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+ version = "0.7.0"
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  dependencies = [
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  "mimalloc",
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- "nalgebra",
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  "num-complex",
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  "pdbtbx",
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  "pulp",
@@ -532,15 +459,6 @@ dependencies = [
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  "rust-sasa",
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  ]
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- [[package]]
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- name = "safe_arch"
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- version = "0.7.1"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "f398075ce1e6a179b46f51bd88d0598b92b00d3551f1a2d4ac49e771b56ac354"
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- dependencies = [
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- "bytemuck",
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- ]
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-
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  [[package]]
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  name = "serde"
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  version = "1.0.228"
@@ -577,19 +495,6 @@ version = "1.3.0"
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  source = "registry+https://github.com/rust-lang/crates.io-index"
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  checksum = "0fda2ff0d084019ba4d7c6f371c95d8fd75ce3524c3cb8fb653a3023f6323e64"
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- [[package]]
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- name = "simba"
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- version = "0.9.0"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "b3a386a501cd104797982c15ae17aafe8b9261315b5d07e3ec803f2ea26be0fa"
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- dependencies = [
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- "approx",
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- "num-complex",
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- "num-traits",
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- "paste",
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- "wide",
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- ]
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-
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  name = "smallvec"
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  version = "1.13.2"
@@ -640,12 +545,6 @@ version = "0.13.2"
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  source = "registry+https://github.com/rust-lang/crates.io-index"
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  checksum = "e502f78cdbb8ba4718f566c418c52bc729126ffd16baee5baa718cf25dd5a69a"
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- [[package]]
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- name = "typenum"
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- version = "1.17.0"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "42ff0bf0c66b8238c6f3b578df37d0b7848e55df8577b3f74f92a69acceeb825"
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-
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  name = "unicode-ident"
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  version = "1.0.12"
@@ -669,13 +568,3 @@ name = "version_check"
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  checksum = "0b928f33d975fc6ad9f86c8f283853ad26bdd5b10b7f1542aa2fa15e2289105a"
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-
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- name = "wide"
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- version = "0.7.16"
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- source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "81a1851a719f11d1d2fea40e15c72f6c00de8c142d7ac47c1441cc7e4d0d5bc6"
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- dependencies = [
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- "bytemuck",
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- "safe_arch",
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- ]
{rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/Cargo.toml RENAMED
@@ -1,6 +1,6 @@
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  [package]
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  name = "rust-sasa-python"
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- version = "0.6.0"
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+ version = "0.7.0"
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  edition = "2024"
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  readme = "README.md"
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@@ -12,8 +12,7 @@ crate-type = ["cdylib"]
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  [dependencies]
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  pdbtbx = "0.12.0"
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  pyo3 = "0.25.1"
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- rust-sasa = "0.8.0"
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- nalgebra = "0.33.2"
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+ rust-sasa = "0.9.0"
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  mimalloc = "0.1.47"
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  num-complex = "0.4.6"
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  pulp = "0.22.2"
{rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: rust-sasa-python
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- Version: 0.6.0
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+ Version: 0.7.0
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  Classifier: Programming Language :: Rust
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  Classifier: Programming Language :: Python :: Implementation :: CPython
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  Classifier: Programming Language :: Python :: Implementation :: PyPy
{rust_sasa_python-0.6.0 → rust_sasa_python-0.7.0}/src/lib.rs RENAMED
@@ -1,4 +1,3 @@
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- use nalgebra::Point3;
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  use pdbtbx;
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  use pyo3::exceptions::PyRuntimeError;
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  use pyo3::prelude::*;