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2 changes: 1 addition & 1 deletion .github/workflows/test.yml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ on:
push:
branches: [main]
pull_request:
branches: [main]
branches: [main, development]

env:
CARGO_TERM_COLOR: always
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2 changes: 1 addition & 1 deletion .github/workflows/wheels.yml
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ on:
push:
branches: [main]
pull_request:
branches: [main]
branches: [main, development]
jobs:
linux:
runs-on: ubuntu-latest
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33 changes: 33 additions & 0 deletions CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,39 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0

## [Unreleased]

## [0.10.0] - XXXX-XX-XX
### Added
- Extended tp-flash algorithm to static numbers of components and enabled automatic differentiation for binary systems. [#336](https://github.com/feos-org/feos/pull/336)
- Rewrote `PhaseEquilibrium::pure_p` to mirror `pure_t` and enabled automatic differentiation. [#337](https://github.com/feos-org/feos/pull/337)
- Added `boiling_temperature` to the list of properties for parallel evaluations of gradients. [#337](https://github.com/feos-org/feos/pull/337)
- Added the `Composition` trait to allow more flexibility in the creation of states and phase equilibria. [#330](https://github.com/feos-org/feos/pull/330)
- Added `PhaseEquilibrium::ph_flash` and `PhaseEquilibrium::ps_flash`. [#338](https://github.com/feos-org/feos/pull/338)
- Added getters for `vapor_phase_fraction`, `molar_enthalpy`, `molar_entropy`, `total_moles`, `enthalpy`, and `entropy` to `PhaseEquilibrium`. [#338](https://github.com/feos-org/feos/pull/338)
- Added `PropertyAD` trait in `feos_core::ad` with one struct per property for uniform evaluation with or without parameter derivatives, including parallel variants. [#358](https://github.com/feos-org/feos/pull/358)
- Added `feos_core::ad::dataset` module with `PureDataset` and `BinaryDataset` types, constructible from records, CSV files, or readers, for use in parameter fits. [#358](https://github.com/feos-org/feos/pull/358)
- Exposed `Property`, `PureDataset`, and `BinaryDataset` in `py-feos`. [#358](https://github.com/feos-org/feos/pull/358)
- Implemented `IdealGasAD<D>` for `Dippr`. [#357](https://github.com/feos-org/feos/pull/357)
- Added `PhaseEquilibrium::binary_azeotrope` that quickly finds azeotropes in binary mixtures for a given temperature or pressure. [#365](https://github.com/feos-org/feos/pull/365)

### Changed
- Removed any assumptions about the total number of moles in a `State` or `PhaseEquilibrium`. Evaluating extensive properties now returns a `Result`. [#330](https://github.com/feos-org/feos/pull/330)
- Redesigned the `IdealGas` trait and added `IdealGasAD` in analogy to `ResidualDyn` and `Residual`. [#330](https://github.com/feos-org/feos/pull/330)
- Replaced the `PropertiesAD` blanket-impl trait with per-property `PropertyAD` types. [#358](https://github.com/feos-org/feos/pull/358)
- Replaced `ParametersAD::named_derivatives` with a `build` constructor and `seed_derivatives(&values, names)`. [#358](https://github.com/feos-org/feos/pull/358)
- Removed the per-property `*_derivatives` free functions in Python in favour of static methods on the new `Property` class. [#358](https://github.com/feos-org/feos/pull/358)

### Removed
- Removed the `StateBuilder` struct, because it is mostly obsolete with the addition of the `Composition` trait. [#330](https://github.com/feos-org/feos/pull/330)

### Packaging
- Updated `quantity` dependency to 0.13 and removed the `typenum` dependency. [#328](https://github.com/feos-org/feos/pull/328)
- Added `csv` as a `feos-core` dependency for the new dataset module. [#358](https://github.com/feos-org/feos/pull/358)
- Updated `pyo3`, `pythonize` and `numpy` dependencies to 0.29. [#360](https://github.com/feos-org/feos/pull/360)
- Updated `quantity` and `num-dual` dependencies to 0.14. [#360](https://github.com/feos-org/feos/pull/360)
- Updated `nalgebra` dependency to 0.35. [#360](https://github.com/feos-org/feos/pull/360)
- Updated `gauss-quad` dependency to 0.3. [#360](https://github.com/feos-org/feos/pull/360)
- Update `itertools` dependency to 0.15.

## [0.9.6] - 2026-07-03
### Added
- Added parameter import from SQL using the `rusqlite` dependency. [#352](https://github.com/feos-org/feos/pull/352)
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24 changes: 12 additions & 12 deletions Cargo.toml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ members = ["crates/*", "py-feos"]
default-members = ["crates/feos"]

[workspace.package]
version = "0.9.6"
version = "0.10.0"
edition = "2024"
authors = [
"Gernot Bauer <bauer@itt.uni-stuttgart.de>",
Expand All @@ -22,33 +22,33 @@ keywords = [
categories = ["science"]

[workspace.dependencies]
quantity = "0.12"
num-dual = "0.13"
quantity = "0.14"
num-dual = "0.14"
ndarray = "0.17"
nalgebra = "0.34"
nalgebra = "0.35"
thiserror = "2.0"
conv = "0.3"
num-traits = "0.2"
serde = "1.0"
serde_json = "1.0"
indexmap = "2.0"
itertools = "0.14"
typenum = "1.16"
itertools = "0.15"
rayon = "1.11"
petgraph = "0.8"
rustdct = "0.7"
rustfft = "6.0"
libm = "0.2"
gauss-quad = "0.2"
gauss-quad = "0.3"
approx = "0.5"
criterion = "0.8"
paste = "1.0"
rusqlite = "0.39"
rusqlite = "0.40"
csv = "1.0"

feos-core = { version = "0.9", path = "crates/feos-core" }
feos-dft = { version = "0.9", path = "crates/feos-dft" }
feos-derive = { version = "0.9", path = "crates/feos-derive" }
feos = { version = "0.9", path = "crates/feos" }
feos-core = { version = "0.10", path = "crates/feos-core" }
feos-dft = { version = "0.10", path = "crates/feos-dft" }
feos-derive = { version = "0.10", path = "crates/feos-derive" }
feos = { version = "0.10", path = "crates/feos" }

[profile.release-lto]
inherits = "release"
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2 changes: 1 addition & 1 deletion crates/feos-core/Cargo.toml
Original file line number Diff line number Diff line change
Expand Up @@ -25,7 +25,7 @@ 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 }
csv = { workspace = true }
itertools = { workspace = true }
rusqlite = { workspace = true, features = ["bundled"], optional = true }

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