Update to PyO3 0.21

CHANGELOG.md

@@ -6,6 +6,10 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [Unreleased]
 
+## [0.9.0] - 2024-04-11
+### Packaging
+- Updated `pyo3` and `numpy` dependencies to 0.21 and adapted to the new `Bound` API.
+
 ## [0.8.1] - 2023-10-20
 ### Packaging
 - Un-deprecated the `linalg` module.

Cargo.toml

@@ -1,6 +1,6 @@
 [package]
 name = "num-dual"
-version = "0.8.1"
+version = "0.9.0"
 authors = ["Gernot Bauer <bauer@itt.uni-stuttgart.de>",
            "Philipp Rehner <prehner@ethz.ch>"]
 edition = "2021"
@@ -19,9 +19,9 @@ name = "num_dual"
 [dependencies]
 num-traits = "0.2"
 nalgebra = "0.32"
-pyo3 = { version = "0.20", optional = true, features = ["multiple-pymethods", "extension-module", "abi3", "abi3-py37"] }
+pyo3 = { version = "0.21", optional = true, features = ["multiple-pymethods", "extension-module", "abi3", "abi3-py37"] }
 ndarray = { version = "0.15", optional = true }
-numpy = { version = "0.20", optional = true }
+numpy = { version = "0.21", optional = true }
 approx = "0.5"
 simba = "0.8"
 

src/linalg.rs

@@ -313,21 +313,15 @@ mod tests {
     #[test]
     fn test_solve_dual64() {
         let a = arr2(&[
-            [Dual64::new_scalar(4.0, 3.0), Dual64::new_scalar(3.0, 3.0)],
-            [Dual64::new_scalar(6.0, 1.0), Dual64::new_scalar(3.0, 2.0)],
-        ]);
-        let b = arr1(&[
-            Dual64::new_scalar(10.0, 20.0),
-            Dual64::new_scalar(12.0, 20.0),
+            [Dual64::new(4.0, 3.0), Dual64::new(3.0, 3.0)],
+            [Dual64::new(6.0, 1.0), Dual64::new(3.0, 2.0)],
         ]);
+        let b = arr1(&[Dual64::new(10.0, 20.0), Dual64::new(12.0, 20.0)]);
         let lu = LU::new(a).unwrap();
         let det = lu.determinant();
-        assert_eq!((det.re, det.eps.unwrap()), (-6.0, -4.0));
+        assert_eq!((det.re, det.eps), (-6.0, -4.0));
         let x = lu.solve(&b);
-        assert_eq!(
-            (x[0].re, x[0].eps.unwrap(), x[1].re, x[1].eps.unwrap()),
-            (1.0, 2.0, 2.0, 1.0)
-        );
+        assert_eq!((x[0].re, x[0].eps, x[1].re, x[1].eps), (1.0, 2.0, 2.0, 1.0));
     }
 
     #[test]
@@ -358,8 +352,8 @@ mod tests {
     #[test]
     fn test_eig_dual64() {
         let a = arr2(&[
-            [Dual64::new_scalar(2.0, 1.0), Dual64::new_scalar(2.0, 2.0)],
-            [Dual64::new_scalar(2.0, 2.0), Dual64::new_scalar(5.0, 3.0)],
+            [Dual64::new(2.0, 1.0), Dual64::new(2.0, 2.0)],
+            [Dual64::new(2.0, 2.0), Dual64::new(5.0, 3.0)],
         ]);
         let (l, v) = jacobi_eigenvalue(a.clone(), 200);
         let av = a.dot(&v);
@@ -368,26 +362,10 @@ mod tests {
         assert_abs_diff_eq!(av[(1, 0)].re, (l[0] * v[(1, 0)]).re, epsilon = 1e-14);
         assert_abs_diff_eq!(av[(0, 1)].re, (l[1] * v[(0, 1)]).re, epsilon = 1e-14);
         assert_abs_diff_eq!(av[(1, 1)].re, (l[1] * v[(1, 1)]).re, epsilon = 1e-14);
-        assert_abs_diff_eq!(
-            av[(0, 0)].eps.unwrap(),
-            (l[0] * v[(0, 0)]).eps.unwrap(),
-            epsilon = 1e-14
-        );
-        assert_abs_diff_eq!(
-            av[(1, 0)].eps.unwrap(),
-            (l[0] * v[(1, 0)]).eps.unwrap(),
-            epsilon = 1e-14
-        );
-        assert_abs_diff_eq!(
-            av[(0, 1)].eps.unwrap(),
-            (l[1] * v[(0, 1)]).eps.unwrap(),
-            epsilon = 1e-14
-        );
-        assert_abs_diff_eq!(
-            av[(1, 1)].eps.unwrap(),
-            (l[1] * v[(1, 1)]).eps.unwrap(),
-            epsilon = 1e-14
-        );
+        assert_abs_diff_eq!(av[(0, 0)].eps, (l[0] * v[(0, 0)]).eps, epsilon = 1e-14);
+        assert_abs_diff_eq!(av[(1, 0)].eps, (l[0] * v[(1, 0)]).eps, epsilon = 1e-14);
+        assert_abs_diff_eq!(av[(0, 1)].eps, (l[1] * v[(0, 1)]).eps, epsilon = 1e-14);
+        assert_abs_diff_eq!(av[(1, 1)].eps, (l[1] * v[(1, 1)]).eps, epsilon = 1e-14);
     }
 
     #[test]
@@ -398,9 +376,9 @@ mod tests {
 
     #[test]
     fn test_norm_dual64() {
-        let v = arr1(&[Dual64::new_scalar(3.0, 1.0), Dual64::new_scalar(4.0, 3.0)]);
+        let v = arr1(&[Dual64::new(3.0, 1.0), Dual64::new(4.0, 3.0)]);
         println!("{}", norm(&v));
         assert_eq!(norm(&v).re, 5.0);
-        assert_eq!(norm(&v).eps.unwrap(), 3.0);
+        assert_eq!(norm(&v).eps, 3.0);
     }
 }

src/python/dual.rs

@@ -3,7 +3,6 @@ use nalgebra::{DVector, SVector};
 use numpy::{PyArray, PyReadonlyArrayDyn};
 use pyo3::exceptions::PyTypeError;
 use pyo3::prelude::*;
-use pyo3::Python;
 
 #[pyclass(name = "Dual64")]
 #[derive(Clone, Debug)]
@@ -92,7 +91,7 @@ impl_dual_num!(PyDual64Dyn, DualDVec64, f64);
 /// Returns
 /// -------
 /// function value and first derivative
-pub fn first_derivative(f: &PyAny, x: f64) -> PyResult<(f64, f64)> {
+pub fn first_derivative(f: &Bound<'_, PyAny>, x: f64) -> PyResult<(f64, f64)> {
     let g = |x| {
         let res = f.call1((PyDual64::from(x),))?;
         if let Ok(res) = res.extract::<PyDual64>() {
@@ -122,7 +121,7 @@ macro_rules! impl_gradient_and_jacobian {
         /// Returns
         /// -------
         /// function value and gradient
-        pub fn gradient(f: &PyAny, x: &PyAny) -> PyResult<(f64, Vec<f64>)> {
+        pub fn gradient(f: &Bound<'_, PyAny>, x: &Bound<'_, PyAny>) -> PyResult<(f64, Vec<f64>)> {
             $(
                 if let Ok(x) = x.extract::<[f64; $n]>() {
                     let g = |x: SVector<DualSVec64<$n>, $n>| {
@@ -174,7 +173,7 @@ macro_rules! impl_gradient_and_jacobian {
         /// Returns
         /// -------
         /// function values and Jacobian
-        pub fn jacobian(f: &PyAny, x: &PyAny) -> PyResult<(Vec<f64>, Vec<Vec<f64>>)> {
+        pub fn jacobian(f: &Bound<'_, PyAny>, x: &Bound<'_, PyAny>) -> PyResult<(Vec<f64>, Vec<Vec<f64>>)> {
             $(
                 if let Ok(x) = x.extract::<[f64; $n]>() {
                     let g = |x: SVector<DualSVec64<$n>, $n>| {

src/python/dual2.rs

@@ -122,7 +122,7 @@ impl_dual_num!(PyDual2_64Dyn, Dual2DVec64, f64);
 /// Returns
 /// -------
 /// function value, first derivative, and second derivative
-pub fn second_derivative(f: &PyAny, x: f64) -> PyResult<(f64, f64, f64)> {
+pub fn second_derivative(f: &Bound<'_, PyAny>, x: f64) -> PyResult<(f64, f64, f64)> {
     let g = |x| {
         let res = f.call1((PyDual2_64::from(x),))?;
         if let Ok(res) = res.extract::<PyDual2_64>() {
@@ -151,7 +151,7 @@ macro_rules! impl_hessian {
         /// Returns
         /// -------
         /// function value, gradient and Hessian
-        pub fn hessian(f: &PyAny, x: &PyAny) -> PyResult<(f64, Vec<f64>, Vec<Vec<f64>>)> {
+        pub fn hessian(f: &Bound<'_, PyAny>, x: &Bound<'_, PyAny>) -> PyResult<(f64, Vec<f64>, Vec<Vec<f64>>)> {
             $(
                 if let Ok(x) = x.extract::<[f64; $n]>() {
                     let g = |x: SVector<Dual2SVec64<$n>, $n>| {

src/python/dual3.rs

@@ -77,7 +77,7 @@ impl_dual_num!(PyDual3Dual64, Dual3<Dual64, f64>, PyDual64);
 /// Returns
 /// -------
 /// function value, first derivative, second derivative, and third derivative
-pub fn third_derivative(f: &PyAny, x: f64) -> PyResult<(f64, f64, f64, f64)> {
+pub fn third_derivative(f: &Bound<'_, PyAny>, x: f64) -> PyResult<(f64, f64, f64, f64)> {
     let g = |x| {
         let res = f.call1((PyDual3_64::from(x),))?;
         if let Ok(res) = res.extract::<PyDual3_64>() {

src/python/hyperdual.rs

@@ -126,7 +126,11 @@ impl_dual_num!(PyHyperDual64Dyn, HyperDualDVec64, f64);
 /// -------
 /// function value, first partial derivative w.r.t. x,
 /// first parital derivative w.r.t. y, and second partial derivative
-pub fn second_partial_derivative(f: &PyAny, x: f64, y: f64) -> PyResult<(f64, f64, f64, f64)> {
+pub fn second_partial_derivative(
+    f: &Bound<'_, PyAny>,
+    x: f64,
+    y: f64,
+) -> PyResult<(f64, f64, f64, f64)> {
     let g = |x, y| {
         let res = f.call1((PyHyperDual64::from(x), PyHyperDual64::from(y)))?;
         if let Ok(res) = res.extract::<PyHyperDual64>() {
@@ -159,9 +163,9 @@ macro_rules! impl_partial_hessian {
         /// function value, gradient w.r.t. x, gradient w.r.t. y, and partial Hessian
         #[allow(clippy::type_complexity)]
         pub fn partial_hessian(
-            f: &PyAny,
-            x: &PyAny,
-            y: &PyAny,
+            f: &Bound<'_, PyAny>,
+            x: &Bound<'_, PyAny>,
+            y: &Bound<'_, PyAny>,
         ) -> PyResult<(f64, Vec<f64>, Vec<f64>, Vec<Vec<f64>>)> {
             $(
                 if let (Ok(x), Ok(y)) = (x.extract::<[f64; $m]>(), y.extract::<[f64; $n]>()) {

src/python/hyperhyperdual.rs

@@ -79,7 +79,7 @@ impl_dual_num!(PyHyperHyperDual64, HyperHyperDual64, f64);
 /// third partial derivative
 #[allow(clippy::type_complexity)]
 pub fn third_partial_derivative(
-    f: &PyAny,
+    f: &Bound<'_, PyAny>,
     x: f64,
     y: f64,
     z: f64,
@@ -130,7 +130,7 @@ pub fn third_partial_derivative(
 /// third partial derivative
 #[allow(clippy::type_complexity)]
 pub fn third_partial_derivative_vec(
-    f: &PyAny,
+    f: &Bound<'_, PyAny>,
     x: Vec<f64>,
     i: usize,
     j: usize,

src/python/mod.rs

@@ -1,3 +1,4 @@
+#![allow(non_snake_case)]
 use pyo3::prelude::*;
 use pyo3::wrap_pyfunction;
 
@@ -34,7 +35,7 @@ pub use hyperdual::{
 pub use hyperhyperdual::PyHyperHyperDual64;
 
 #[pymodule]
-pub fn num_dual(_py: Python, m: &PyModule) -> PyResult<()> {
+pub fn num_dual(_py: Python, m: &Bound<'_, PyModule>) -> PyResult<()> {
     m.add("__version__", env!("CARGO_PKG_VERSION"))?;
     m.add_class::<PyDual64>()?;
     m.add_class::<PyHyperDual64>()?;