Fix wheels and tests

Author: prehner

crates/feos/tests/pcsaft/properties.rs

@@ -38,7 +38,7 @@ fn test_virial_is_not_nan() -> Result<(), Box<dyn Error>> {
         IdentifierOption::Name,
     )?;
     let saft = &PcSaft::new(params);
-    let virial_b = saft.second_virial_coefficient(300.0 * KELVIN, ());
+    let virial_b = saft.second_virial_coefficient(300.0 * KELVIN, ())?;
     assert!(!virial_b.is_nan());
     Ok(())
 }

py-feos/src/dft/adsorption/mod.rs

@@ -1,6 +1,6 @@
 use super::PyDFTSolver;
 use crate::PyVerbosity;
-use crate::eos::{PyEquationOfState, parse_composition};
+use crate::eos::{Compositions, PyEquationOfState};
 use crate::error::PyFeosError;
 use crate::ideal_gas::IdealGasModel;
 use crate::residual::ResidualModel;
@@ -70,7 +70,7 @@ macro_rules! impl_adsorption_isotherm {
                     temperature,
                     &pressure,
                     &pore.0,
-                    parse_composition(composition)?,
+                    Compositions::try_from(composition)?,
                     solver.map(|s| s.0).as_ref(),
                 ).map_err(PyFeosError::from)?))
             }
@@ -114,7 +114,7 @@ macro_rules! impl_adsorption_isotherm {
                     temperature,
                     &pressure,
                     &pore.0,
-                    parse_composition(composition)?,
+                    Compositions::try_from(composition)?,
                     solver.map(|s| s.0).as_ref(),
                 ).map_err(PyFeosError::from)?))
             }
@@ -161,7 +161,7 @@ macro_rules! impl_adsorption_isotherm {
                     temperature,
                     &pressure,
                     &pore.0,
-                    parse_composition(composition)?,
+                    Compositions::try_from(composition)?,
                     solver.map(|s| s.0).as_ref(),
                 ).map_err(PyFeosError::from)?))
             }
@@ -217,7 +217,7 @@ macro_rules! impl_adsorption_isotherm {
                     p_min,
                     p_max,
                     &pore.0,
-                    parse_composition(composition)?,
+                    Compositions::try_from(composition)?,
                     solver.map(|s| s.0).as_ref(),
                     (max_iter, tol, verbosity.map(|v| v.into())).into(),
                 ).map_err(PyFeosError::from)?))