rebase

prehner · prehner · commit c95b05a6942c · 2024-04-19T19:18:05.000+02:00
diff --git a/src/epcsaft/python.rs b/src/epcsaft/python.rs
@@ -236,7 +236,7 @@ impl PyPermittivityRecord {
 }
 
 #[pymodule]
-pub fn epcsaft(_py: Python<'_>, m: &PyModule) -> PyResult<()> {
+pub fn epcsaft(m: &Bound<'_, PyModule>) -> PyResult<()> {
     m.add_class::<PyIdentifier>()?;
     m.add_class::<IdentifierOption>()?;
     m.add_class::<PyChemicalRecord>()?;
diff --git a/src/saftvrmie/python.rs b/src/saftvrmie/python.rs
@@ -246,11 +246,11 @@ impl_parameter!(
 #[pymethods]
 impl PySaftVRMieParameters {
     #[getter]
-    fn get_k_ij<'py>(&self, py: Python<'py>) -> Option<&'py PyArray2<f64>> {
+    fn get_k_ij<'py>(&self, py: Python<'py>) -> Option<Bound<'py, PyArray2<f64>>> {
         self.0
             .binary_records
             .as_ref()
-            .map(|br| br.map(|br| br.k_ij).view().to_pyarray(py))
+            .map(|br| br.map(|br| br.k_ij).view().to_pyarray_bound(py))
     }
 
     fn _repr_markdown_(&self) -> String {
@@ -259,7 +259,7 @@ impl PySaftVRMieParameters {
 }
 
 #[pymodule]
-pub fn saftvrmie(_py: Python<'_>, m: &PyModule) -> PyResult<()> {
+pub fn saftvrmie(m: &Bound<'_, PyModule>) -> PyResult<()> {
     m.add_class::<PyIdentifier>()?;
     m.add_class::<IdentifierOption>()?;
 
diff --git a/src/saftvrqmie/python.rs b/src/saftvrqmie/python.rs
@@ -269,7 +269,7 @@ impl PySaftVRQMieParameters {
     /// -------
     /// np.ndarray
     #[getter]
-    fn de_boer<'py>(&self, py: Python<'py>) -> PyResult<&'py PyArray1<f64>> {
+    fn de_boer<'py>(&self, py: Python<'py>) -> PyResult<Bound<'py, PyArray1<f64>>> {
         let n = self.0.m.len();
         Ok(Array1::from_shape_fn(n, |i| -> f64 {
             (PLANCK
@@ -279,7 +279,7 @@ impl PySaftVRQMieParameters {
             .into_value()
         })
         .view()
-        .to_pyarray(py))
+        .to_pyarray_bound(py))
     }
 
     /// Generate energy and force tables to be used with LAMMPS' `pair_style table` command.

Original file line number	Diff line number	Diff line change
`@@ -236,7 +236,7 @@ impl PyPermittivityRecord {`
`236`	`236`	`}`
`237`	`237`
`238`	`238`	`#[pymodule]`
`239`		`-pub fn epcsaft(_py: Python<'_>, m: &PyModule) -> PyResult<()> {`
	`239`	`+pub fn epcsaft(m: &Bound<'_, PyModule>) -> PyResult<()> {`
`240`	`240`	`m.add_class::<PyIdentifier>()?;`
`241`	`241`	`m.add_class::<IdentifierOption>()?;`
`242`	`242`	`m.add_class::<PyChemicalRecord>()?;`