Update quantity to 0.13 and remove typenum dependency

Cargo.toml

@@ -22,7 +22,7 @@ keywords = [
 categories = ["science"]
 
 [workspace.dependencies]
-quantity = "0.12"
+quantity = { git = "https://github.com/itt-ustutt/quantity", branch = "consts_instead_of_typenum" }
 num-dual = "0.13"
 ndarray = "0.17"
 nalgebra = "0.34"
@@ -33,7 +33,6 @@ serde = "1.0"
 serde_json = "1.0"
 indexmap = "2.0"
 itertools = "0.14"
-typenum = "1.16"
 rayon = "1.11"
 petgraph = "0.8"
 rustdct = "0.7"

crates/feos-core/Cargo.toml

@@ -25,7 +25,6 @@ serde = { workspace = true, features = ["derive"] }
 serde_json = { workspace = true, features = ["preserve_order"] }
 indexmap = { workspace = true, features = ["serde"] }
 rayon = { workspace = true, optional = true }
-typenum = { workspace = true }
 itertools = { workspace = true }
 
 [dev-dependencies]

crates/feos-core/src/equation_of_state/residual.rs

@@ -3,9 +3,10 @@ use nalgebra::{DVector, DefaultAllocator, Dim, Dyn, OMatrix, OVector, U1, alloca
 use num_dual::{DualNum, Gradients, partial, partial2, second_derivative, third_derivative};
 use quantity::ad::first_derivative;
 use quantity::*;
-use std::ops::Deref;
+use std::ops::{Deref, Div};
 use std::sync::Arc;
-use typenum::Quot;
+
+type Quot<T1, T2> = <T1 as Div<T2>>::Output;
 
 /// Molar weight of all components.
 ///

crates/feos-core/src/lib.rs

@@ -3,7 +3,6 @@
 #![warn(clippy::allow_attributes)]
 use quantity::{Quantity, SIUnit};
 use std::ops::{Div, Mul};
-use typenum::Integer;
 
 /// Print messages with level `Verbosity::Iter` or higher.
 #[macro_export]
@@ -132,20 +131,20 @@ const fn powi(x: f64, n: i32) -> f64 {
 /// Conversion between reduced units and SI units.
 pub trait ReferenceSystem {
     type Inner;
-    type T: Integer;
-    type L: Integer;
-    type M: Integer;
-    type I: Integer;
-    type THETA: Integer;
-    type N: Integer;
-    type J: Integer;
-    const FACTOR: f64 = powi(REFERENCE_VALUES[0], Self::T::I32)
-        * powi(REFERENCE_VALUES[1], Self::L::I32)
-        * powi(REFERENCE_VALUES[2], Self::M::I32)
-        * powi(REFERENCE_VALUES[3], Self::I::I32)
-        * powi(REFERENCE_VALUES[4], Self::THETA::I32)
-        * powi(REFERENCE_VALUES[5], Self::N::I32)
-        * powi(REFERENCE_VALUES[6], Self::J::I32);
+    const T: i8;
+    const L: i8;
+    const M: i8;
+    const I: i8;
+    const THETA: i8;
+    const N: i8;
+    const J: i8;
+    const FACTOR: f64 = powi(REFERENCE_VALUES[0], Self::T as i32)
+        * powi(REFERENCE_VALUES[1], Self::L as i32)
+        * powi(REFERENCE_VALUES[2], Self::M as i32)
+        * powi(REFERENCE_VALUES[3], Self::I as i32)
+        * powi(REFERENCE_VALUES[4], Self::THETA as i32)
+        * powi(REFERENCE_VALUES[5], Self::N as i32)
+        * powi(REFERENCE_VALUES[6], Self::J as i32);
 
     fn from_reduced(value: Self::Inner) -> Self
     where
@@ -161,17 +160,25 @@ pub trait ReferenceSystem {
 }
 
 /// Conversion to and from reduced units
-impl<Inner, T: Integer, L: Integer, M: Integer, I: Integer, THETA: Integer, N: Integer, J: Integer>
-    ReferenceSystem for Quantity<Inner, SIUnit<T, L, M, I, THETA, N, J>>
+impl<
+    Inner,
+    const T: i8,
+    const L: i8,
+    const M: i8,
+    const I: i8,
+    const THETA: i8,
+    const N: i8,
+    const J: i8,
+> ReferenceSystem for Quantity<Inner, SIUnit<T, L, M, I, THETA, N, J>>
 {
     type Inner = Inner;
-    type T = T;
-    type L = L;
-    type M = M;
-    type I = I;
-    type THETA = THETA;
-    type N = N;
-    type J = J;
+    const T: i8 = T;
+    const L: i8 = L;
+    const M: i8 = M;
+    const I: i8 = I;
+    const THETA: i8 = THETA;
+    const N: i8 = N;
+    const J: i8 = J;
     fn from_reduced(value: Inner) -> Self
     where
         Inner: Mul<f64, Output = Inner>,

crates/feos-core/src/phase_equilibria/bubble_dew.rs

@@ -12,7 +12,6 @@ use ndarray::Array1;
 use num_dual::linalg::LU;
 use num_dual::{DualNum, DualStruct, Gradients};
 use quantity::{Density, Dimensionless, Moles, Pressure, Quantity, RGAS, SIUnit, Temperature};
-use typenum::{N1, N2, P1, Z0};
 
 const MAX_ITER_INNER: usize = 5;
 const TOL_INNER: f64 = 1e-9;
@@ -94,7 +93,7 @@ impl<D: DualNum<f64> + Copy> TemperatureOrPressure<D> for Temperature<D> {
 // used instead of the explicit unit. Maybe the type is too complicated for the
 // compiler?
 impl<D: DualNum<f64> + Copy> TemperatureOrPressure<D>
-    for Quantity<D, SIUnit<N2, N1, P1, Z0, Z0, Z0, Z0>>
+    for Quantity<D, SIUnit<-2, -1, 1, 0, 0, 0, 0>>
 {
     type Other = Temperature<D>;
     const IDENTIFIER: &'static str = "pressure";

crates/feos-core/src/state/builder.rs

@@ -14,25 +14,24 @@ use quantity::*;
 /// # use quantity::*;
 /// # use nalgebra::dvector;
 /// # use approx::assert_relative_eq;
-/// # use typenum::P3;
 /// # fn main() -> FeosResult<()> {
 /// // Create a state for given T,V,N
 /// let eos = &PengRobinson::new(PengRobinsonParameters::new_simple(&[369.8], &[41.9 * 1e5], &[0.15], &[15.0])?);
 /// let state = StateBuilder::new(&eos)
 ///                 .temperature(300.0 * KELVIN)
-///                 .volume(12.5 * METER.powi::<P3>())
+///                 .volume(12.5 * METER.powi::<3>())
 ///                 .moles(&(dvector![2.5] * MOL))
 ///                 .build()?;
-/// assert_eq!(state.density, 0.2 * MOL / METER.powi::<P3>());
+/// assert_eq!(state.density, 0.2 * MOL / METER.powi::<3>());
 ///
 /// // For a pure component, the composition does not need to be specified.
 /// let eos = &PengRobinson::new(PengRobinsonParameters::new_simple(&[369.8], &[41.9 * 1e5], &[0.15], &[15.0])?);
 /// let state = StateBuilder::new(&eos)
 ///                 .temperature(300.0 * KELVIN)
-///                 .volume(12.5 * METER.powi::<P3>())
+///                 .volume(12.5 * METER.powi::<3>())
 ///                 .total_moles(2.5 * MOL)
 ///                 .build()?;
-/// assert_eq!(state.density, 0.2 * MOL / METER.powi::<P3>());
+/// assert_eq!(state.density, 0.2 * MOL / METER.powi::<3>());
 ///
 /// // The state can be constructed without providing any extensive property.
 /// let eos = &PengRobinson::new(
@@ -45,10 +44,10 @@ use quantity::*;
 /// );
 /// let state = StateBuilder::new(&eos)
 ///                 .temperature(300.0 * KELVIN)
-///                 .partial_density(&(dvector![0.2, 0.6] * MOL / METER.powi::<P3>()))
+///                 .partial_density(&(dvector![0.2, 0.6] * MOL / METER.powi::<3>()))
 ///                 .build()?;
 /// assert_relative_eq!(state.molefracs, dvector![0.25, 0.75]);
-/// assert_relative_eq!(state.density, 0.8 * MOL / METER.powi::<P3>());
+/// assert_relative_eq!(state.density, 0.8 * MOL / METER.powi::<3>());
 /// # Ok(())
 /// # }
 /// ```

crates/feos-core/src/state/cache.rs

@@ -1,8 +1,10 @@
 use nalgebra::allocator::Allocator;
 use nalgebra::{DefaultAllocator, Dim, OVector, Scalar};
 use quantity::*;
+use std::ops::Sub;
 use std::sync::OnceLock;
-use typenum::Diff;
+
+type Diff<T1, T2> = <T1 as Sub<T2>>::Output;
 
 #[derive(Clone, Debug)]
 #[expect(clippy::type_complexity)]

crates/feos-core/src/state/mod.rs

@@ -798,52 +798,51 @@ mod critical_point;
 mod tests {
     use super::*;
     use nalgebra::dvector;
-    use typenum::P3;
 
     #[test]
     fn test_validate() {
         let temperature = 298.15 * KELVIN;
-        let density = 3000.0 * MOL / METER.powi::<P3>();
+        let density = 3000.0 * MOL / METER.powi::<3>();
         let molefracs = dvector![0.03, 0.02, 0.05];
         assert!(validate(temperature, density, &molefracs).is_ok());
     }
 
     #[test]
     fn test_negative_temperature() {
         let temperature = -298.15 * KELVIN;
-        let density = 3000.0 * MOL / METER.powi::<P3>();
+        let density = 3000.0 * MOL / METER.powi::<3>();
         let molefracs = dvector![0.03, 0.02, 0.05];
         assert!(validate(temperature, density, &molefracs).is_err());
     }
 
     #[test]
     fn test_nan_temperature() {
         let temperature = f64::NAN * KELVIN;
-        let density = 3000.0 * MOL / METER.powi::<P3>();
+        let density = 3000.0 * MOL / METER.powi::<3>();
         let molefracs = dvector![0.03, 0.02, 0.05];
         assert!(validate(temperature, density, &molefracs).is_err());
     }
 
     #[test]
     fn test_negative_mole_number() {
         let temperature = 298.15 * KELVIN;
-        let density = 3000.0 * MOL / METER.powi::<P3>();
+        let density = 3000.0 * MOL / METER.powi::<3>();
         let molefracs = dvector![-0.03, 0.02, 0.05];
         assert!(validate(temperature, density, &molefracs).is_err());
     }
 
     #[test]
     fn test_nan_mole_number() {
         let temperature = 298.15 * KELVIN;
-        let density = 3000.0 * MOL / METER.powi::<P3>();
+        let density = 3000.0 * MOL / METER.powi::<3>();
         let molefracs = dvector![f64::NAN, 0.02, 0.05];
         assert!(validate(temperature, density, &molefracs).is_err());
     }
 
     #[test]
     fn test_negative_density() {
         let temperature = 298.15 * KELVIN;
-        let density = -3000.0 * MOL / METER.powi::<P3>();
+        let density = -3000.0 * MOL / METER.powi::<3>();
         let molefracs = dvector![0.01, 0.02, 0.05];
         assert!(validate(temperature, density, &molefracs).is_err());
     }

crates/feos-dft/Cargo.toml

@@ -25,7 +25,6 @@ num-traits = { workspace = true }
 libm = { workspace = true }
 gauss-quad = { workspace = true, optional = true }
 petgraph = { workspace = true }
-typenum = { workspace = true }
 
 feos-core = { workspace = true }
 

crates/feos-dft/src/adsorption/pore.rs

@@ -19,12 +19,12 @@ use quantity::{
     Temperature, Volume,
 };
 use rustdct::DctNum;
-use typenum::Diff;
+use std::ops::Sub;
 
 const POTENTIAL_OFFSET: f64 = 2.0;
 const DEFAULT_GRID_POINTS: usize = 2048;
 
-pub type _HenryCoefficient = Diff<_Moles, _Pressure>;
+pub type _HenryCoefficient = <_Moles as Sub<_Pressure>>::Output;
 pub type HenryCoefficient<T> = Quantity<T, _HenryCoefficient>;
 
 /// Parameters required to specify a 1D pore.

crates/feos-dft/src/pdgt.rs

@@ -10,7 +10,9 @@ use quantity::{
     Temperature,
 };
 use std::ops::{Add, AddAssign, Sub};
-use typenum::{Diff, P2, Sum};
+
+type Sum<T1, T2> = <T1 as Add<T2>>::Output;
+type Diff<T1, T2> = <T1 as Sub<T2>>::Output;
 
 type _InfluenceParameter = Diff<Sum<_MolarEnergy, _Area>, _Density>;
 type InfluenceParameter<T> = Quantity<T, _InfluenceParameter>;
@@ -218,7 +220,7 @@ pub trait PdgtFunctionalProperties: HelmholtzEnergyFunctional {
 
             // calculate interfacial width
             let w_temp = integrate_trapezoidal(&rho_r * &*z * z_int, dx);
-            *w = (24.0 * (w_temp - 0.5 * ze.powi::<P2>())).sqrt();
+            *w = (24.0 * (w_temp - 0.5 * ze.powi::<2>())).sqrt();
 
             // shift density profile
             *z -= ze;

crates/feos-dft/src/profile/mod.rs

@@ -12,7 +12,6 @@ use num_dual::DualNum;
 use quantity::{_Volume, DEGREES, Density, Length, Moles, Quantity, Temperature, Volume};
 use std::ops::{Add, MulAssign};
 use std::sync::Arc;
-use typenum::Sum;
 
 mod properties;
 
@@ -304,7 +303,7 @@ where
     pub fn integrate<S: Data<Elem = f64>, U>(
         &self,
         profile: &Quantity<ArrayBase<S, D>, U>,
-    ) -> Quantity<f64, Sum<_Volume, U>>
+    ) -> Quantity<f64, <_Volume as Add<U>>::Output>
     where
         _Volume: Add<U>,
     {
@@ -322,7 +321,7 @@ where
     pub fn integrate_comp<S: Data<Elem = f64>, U>(
         &self,
         profile: &Quantity<ArrayBase<S, D::Larger>, U>,
-    ) -> Quantity<DVector<f64>, Sum<_Volume, U>>
+    ) -> Quantity<DVector<f64>, <_Volume as Add<U>>::Output>
     where
         _Volume: Add<U>,
     {
@@ -335,7 +334,7 @@ where
     pub fn integrate_segments<S: Data<Elem = f64>, U>(
         &self,
         profile: &Quantity<ArrayBase<S, D::Larger>, U>,
-    ) -> Quantity<DVector<f64>, Sum<_Volume, U>>
+    ) -> Quantity<DVector<f64>, <_Volume as Add<U>>::Output>
     where
         _Volume: Add<U>,
     {

crates/feos/Cargo.toml

@@ -26,7 +26,6 @@ serde_json = { workspace = true }
 indexmap = { workspace = true }
 rayon = { workspace = true, optional = true }
 itertools = { workspace = true }
-typenum = { workspace = true }
 
 feos-core = { workspace = true }
 feos-derive = { workspace = true, optional = true }

crates/feos/benches/dft_pore.rs

@@ -10,7 +10,6 @@ use feos::hard_sphere::{FMTFunctional, FMTVersion};
 use feos::pcsaft::{PcSaftFunctional, PcSaftParameters};
 use nalgebra::dvector;
 use quantity::{ANGSTROM, KELVIN, NAV};
-use typenum::P3;
 
 fn fmt(c: &mut Criterion) {
     let mut group = c.benchmark_group("DFT_pore_fmt");
@@ -23,7 +22,7 @@ fn fmt(c: &mut Criterion) {
         None,
         None,
     );
-    let bulk = State::new_pure(&func, KELVIN, 0.75 / NAV / ANGSTROM.powi::<P3>()).unwrap();
+    let bulk = State::new_pure(&func, KELVIN, 0.75 / NAV / ANGSTROM.powi::<3>()).unwrap();
     group.bench_function("liquid", |b| {
         b.iter(|| pore.initialize(&bulk, None, None).unwrap().solve(None))
     });

crates/feos/benches/dual_numbers.rs

@@ -13,7 +13,6 @@ use feos_core::parameter::PureRecord;
 use nalgebra::{DVector, Dyn, dvector};
 use num_dual::{Dual2_64, Dual3_64, Dual64, DualNum, HyperDual64};
 use quantity::*;
-use typenum::P3;
 
 /// Helper function to create a state for given parameters.
 /// - temperature is 80% of critical temperature,
@@ -129,7 +128,7 @@ fn methane_co2_pcsaft(c: &mut Criterion) {
 
     // 230 K, 50 bar, x0 = 0.15
     let temperature = 230.0 * KELVIN;
-    let density = 24.16896 * KILO * MOL / METER.powi::<P3>();
+    let density = 24.16896 * KILO * MOL / METER.powi::<3>();
     let volume = 10.0 * MOL / density;
     let x = dvector![0.15, 0.85];
     let moles = &x * 10.0 * MOL;

crates/feos/benches/state_properties.rs

@@ -5,7 +5,6 @@ use feos::core::{Contributions, Residual, State};
 use feos::pcsaft::{PcSaft, PcSaftParameters};
 use nalgebra::{DVector, dvector};
 use quantity::*;
-use typenum::P3;
 
 /// Evaluate a property of a state given the EoS, the property to compute,
 /// temperature, volume, moles, and the contributions to consider.
@@ -42,7 +41,7 @@ fn properties_pcsaft(c: &mut Criterion) {
     .unwrap();
     let eos = PcSaft::new(parameters);
     let t = 300.0 * KELVIN;
-    let density = 71.18 * KILO * MOL / METER.powi::<P3>();
+    let density = 71.18 * KILO * MOL / METER.powi::<3>();
     let v = 100.0 * MOL / density;
     let x = dvector![1.0 / 3.0, 1.0 / 3.0, 1.0 / 3.0];
     let m = &x * 100.0 * MOL;
@@ -92,7 +91,7 @@ fn properties_pcsaft_polar(c: &mut Criterion) {
     .unwrap();
     let eos = PcSaft::new(parameters);
     let t = 300.0 * KELVIN;
-    let density = 71.18 * KILO * MOL / METER.powi::<P3>();
+    let density = 71.18 * KILO * MOL / METER.powi::<3>();
     let v = 100.0 * MOL / density;
     let x = dvector![1.0 / 3.0, 1.0 / 3.0, 1.0 / 3.0];
     let m = &x * 100.0 * MOL;