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Migrate FeOs to new quantity crate #257

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Merged
prehner merged 12 commits into from
Oct 28, 2024
Merged

Migrate FeOs to new quantity crate #257

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a1c975d
Migrate FeOs to new quantity crate
prehner Sep 23, 2024
62e5e19
update other crates
prehner Sep 23, 2024
d519bd4
update the python interfaces
prehner Sep 24, 2024
208a83b
Fix warnings and re-export si_units as feos.si
prehner Sep 28, 2024
a5077fb
update name of Python classes
prehner Sep 30, 2024
2920603
change dependencies to github
prehner Sep 30, 2024
c7e947a
move all dependencies to crates.io
prehner Oct 24, 2024
f2b7fd7
use correct features in quantity
prehner Oct 24, 2024
b845f1e
a natural mistake
prehner Oct 24, 2024
56a68bd
fix wheels
prehner Oct 24, 2024
c327609
remove win32 wheel
prehner Oct 24, 2024
06671ea
fixes
prehner Oct 28, 2024
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@prehner
prehner committed Oct 28, 2024
commit 06671ea4d72504f498734c550736bb5740fc0c47
4 changes: 2 additions & 2 deletions feos-core/Cargo.toml
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Expand Up @@ -26,7 +26,7 @@ rustdoc-args = ["--html-in-header", "./docs-header.html"]
features = ["rayon"]

[dependencies]
quantity = { version = "0.9", features = ["approx", "ndarray"]}
quantity = { version = "0.9", features = ["approx", "ndarray"] }
num-dual = { version = "0.10", features = ["linalg"] }
ndarray = { version = "0.16", features = ["serde", "approx"] }
nalgebra = "0.33"
Expand All @@ -36,7 +36,7 @@ serde = { version = "1.0", features = ["derive"] }
serde_json = "1.0"
indexmap = "2.0"
conv = "0.3"
numpy = { git = "https://github.com/PyO3/rust-numpy", optional = true }
numpy = { version = "0.22", optional = true }
pyo3 = { version = "0.22", features = ["multiple-pymethods"], optional = true }
rayon = { version = "1.5", optional = true }
typenum = "1.16"
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4 changes: 2 additions & 2 deletions feos-core/src/python/user_defined.rs
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Expand Up @@ -207,9 +207,9 @@ macro_rules! impl_residual {
fn molar_weight(&self) -> MolarWeight<Array1<f64>> {
Python::with_gil(|py| {
let py_result = self.0.bind(py).call_method0("molar_weight").unwrap();
if py_result.get_type().name().unwrap() != "PySIQuantity" {
if py_result.get_type().name().unwrap() != "si_units.SIObject" {
panic!(
"Expected an 'PySIQuantity' for the 'molar_weight' method return type, got {}",
"Expected an 'SIObject' for the 'molar_weight' method return type, got {}",
py_result.get_type().name().unwrap()
);
}
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