Update to 0.4.0

.github/workflows/basic.yml

@@ -0,0 +1,65 @@
+name: Basic Validation
+
+on: 
+  push:
+  pull_request:
+  workflow_dispatch:
+  schedule:
+    - cron:  '26 3 20 * *'
+
+env:
+  CARGO_TERM_COLOR: always
+  RUSTFLAGS: "-Dwarnings"
+
+jobs:
+  build-and-test:
+
+    name: Build and Test
+
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v4
+    - name: Prepare environment
+      run: |
+        rustup update stable
+        cargo clean
+    - name: Test with cargo
+      run: |
+        cargo test
+        cargo test --no-default-features
+        cargo test --features "double_precision"
+        cargo test --features "argdebug"
+        cargo test --features "array"
+        cargo test --features "parallel"
+        cargo test --features "double_precision, argdebug"
+        cargo test --features "double_precision, array"
+        cargo test --features "double_precision, parallel"
+        cargo test --features "argdebug, array"
+        cargo test --features "argdebug, parallel"
+        cargo test --features "array, parallel"
+        cargo test --features "double_precision, argdebug, array"
+        cargo test --features "double_precision, argdebug, parallel"
+        cargo test --features "double_precision, array, parallel"
+        cargo test --features "argdebug, array, parallel"
+        cargo test --all-features
+        cargo clean
+    - name: Check release builds
+      run: |
+        cargo build --release
+        cargo build --release --no-default-features
+        cargo build --release --features "double_precision"
+        cargo build --release --features "argdebug"
+        cargo build --release --features "array"
+        cargo build --release --features "parallel"
+        cargo build --release --features "double_precision, argdebug"
+        cargo build --release --features "double_precision, array"
+        cargo build --release --features "double_precision, parallel"
+        cargo build --release --features "argdebug, array"
+        cargo build --release --features "argdebug, parallel"
+        cargo build --release --features "array, parallel"
+        cargo build --release --features "double_precision, argdebug, array"
+        cargo build --release --features "double_precision, argdebug, parallel"
+        cargo build --release --features "double_precision, array, parallel"
+        cargo build --release --features "argdebug, array, parallel"
+        cargo build --release --all-features

.github/workflows/clippy-check.yml

@@ -0,0 +1,19 @@
+on: pull_request
+
+name: Cargo Clippy
+
+env:
+    CARGO_TERM_COLOR: always
+    RUSTFLAGS: "-Dwarnings"
+
+jobs:
+  clippy_check:
+    name: Check
+
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - name: Clippy
+        run: |
+          rustup component add clippy
+          cargo clippy -- -D warnings

.github/workflows/doc-coverage.yml

@@ -0,0 +1,45 @@
+name: Cargo Doc
+
+on:
+  pull_request
+
+jobs:
+  pr-comment:
+    name: Check Coverage
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+      - name: Install rust toolchain
+        uses: actions-rs/toolchain@v1
+        with:
+          toolchain: nightly
+      - name: Fetch base
+        run: git fetch origin ${{ github.event.pull_request.base.sha }}
+      - name: Checkout base
+        run: git checkout ${{ github.event.pull_request.base.sha }}
+      - name: Calculate base doc coverage
+        uses: bewee/rustdoc-coverage-action@v1
+      - name: Fetch head
+        run: git fetch origin ${{ github.event.pull_request.head.sha }}
+      - name: Checkout head
+        run: git checkout ${{ github.event.pull_request.head.sha }}
+      - name: Calculate doc coverage
+        id: coverage
+        uses: bewee/rustdoc-coverage-action@v1
+      - name: Find Comment
+        uses: peter-evans/find-comment@v1
+        id: fc
+        with:
+          issue-number: ${{ github.event.pull_request.number }}
+          comment-author: "github-actions[bot]"
+          body-includes: "## Documentation Coverage:"
+      - name: Create or update comment
+        uses: peter-evans/create-or-update-comment@v1
+        with:
+          comment-id: ${{ steps.fc.outputs.comment-id }}
+          issue-number: ${{ github.event.pull_request.number }}
+          body: |
+            ## Documentation Coverage:
+            ${{ steps.coverage.outputs.table }}
+          edit-mode: replace

Cargo.toml

@@ -1,67 +1,91 @@
 [package]
 name = "floccus"
-version = "0.3.7"
+version = "0.4.0-alpha.9"
 authors = ["Jakub Lewandowski <scaleweather@gmail.com>"]
-edition = "2021"
+edition = "2024"
 description = "Formulae for air thermodynamic calculations"
 repository = "https://github.com/ScaleWeather/floccus"
 readme = "README.md"
 keywords = ["oceanography", "thermodynamics", "meteorology", "weather"]
 categories = ["mathematics", "science"]
 license = "Apache-2.0"
-exclude = [
-    ".github/*",
-]
+exclude = [".github/*"]
 
 [dependencies]
-thiserror = "^1.0.30"
-float-cmp = "^0.9.0"
-floccus-proc = {version = "0.2.5", optional = true}
-log = "^0.4.14"
+thiserror = "2.0"
+float-cmp = "0.10"
+tracing = { version = "0.1", optional = true, default-features = false, features = [
+    "attributes",
+] }
+ndarray = { version = "0.16", default-features = false, optional = true }
+rayon = { version = "1.10", default-features = false, optional = true }
+uom = { version = "0.37", default-features = false, features = [
+    "si",
+    "std",
+    "autoconvert",
+    "f32",
+] }
+
+[lib]
+doctest = false
 
 [dev-dependencies]
-criterion = "0.4.0"
+criterion = "0.6"
+itertools = "0.14"
+log = "0.4"
+testing_logger = "0.1"
+floccus = { path = ".", features = ["double_precision"] }
 
 [features]
-debug = ["floccus-proc"]
-double_precision = []
+default = []
+argdebug = ["dep:tracing"]
+double_precision = ["uom/f64"]
+array = ["dep:ndarray"]
+parallel = ["array", "ndarray/rayon", "dep:rayon"]
 
 [[bench]]
-name = "virtual_temperature"
+name = "equivalent_potential_temperature"
 harness = false
 
 [[bench]]
-name = "vapour_pressure"
+name = "mixing_ratio"
 harness = false
 
 [[bench]]
-name = "vapour_pressure_deficit"
-harness = false
+name = "potential_temperature"
 
 [[bench]]
-name = "mixing_ratio"
+name = "relative_humidity"
 harness = false
 
 [[bench]]
-name = "wet_bulb_temperature"
+name = "saturation_mixing_ratio"
 harness = false
 
 [[bench]]
-name = "relative_humidity"
+name = "saturation_vapour_pressure"
 harness = false
 
 [[bench]]
 name = "specific_humidity"
 harness = false
 
 [[bench]]
-name = "potential_temperature"
+name = "vapour_pressure_deficit"
 harness = false
 
 [[bench]]
-name = "equivalent_potential_temperature"
+name = "vapour_pressure"
+harness = false
+
+[[bench]]
+name = "virtual_temperature"
 harness = false
 
 [[bench]]
 name = "wet_bulb_potential_temperature"
 harness = false
+
+[[bench]]
+name = "wet_bulb_temperature"
+harness = false

README.md

@@ -1,9 +1,9 @@
 # floccus
 
-[![License](https://img.shields.io/github/license/ScaleWeather/floccus)](https://choosealicense.com/licenses/apache-2.0/)
-[![Crates.io](https://img.shields.io/crates/v/floccus)](https://crates.io/crates/floccus)
-[![dependency status](https://deps.rs/repo/github/ScaleWeather/floccus/status.svg)](https://deps.rs/repo/github/ScaleWeather/floccus)
-[![GitHub Workflow Status](https://img.shields.io/github/actions/workflow/status/ScaleWeather/floccus/rust.yml?branch=main&label=cargo%20build)](https://github.com/ScaleWeather/floccus/actions)
+[![Github Repository](https://img.shields.io/badge/Github-Repository-blue?style=flat-square&logo=github&color=blue)](https://github.com/ScaleWeather/floccus)
+[![Crates.io](https://img.shields.io/crates/v/floccus?style=flat-square)](https://crates.io/crates/floccus)
+[![License](https://img.shields.io/github/license/ScaleWeather/floccus?style=flat-square)](https://choosealicense.com/licenses/apache-2.0/)
+[![dependency status](https://deps.rs/repo/github/ScaleWeather/floccus/status.svg?style=flat-square)](https://deps.rs/repo/github/ScaleWeather/floccus)
 
 Rust crate providing formulae for air thermodynamic calculations.
 
@@ -58,6 +58,9 @@ To prevent any unexpected behavior, all functions check whether provided inputs
 Exact limits are specified in the documentation of each function.
 If the input is out of range the function will return an `InputError::OutOfRange` with erroneous input specified.
 
+Each function also has `_unchecked` and `_validate` versions. The `_validate` version only checks the inputs with bounds defined for its "parent" function.
+The `_unchecked` version performs only the calculation without any input checking. All "parent" functions simply call `_validate` and then `_unchecked`.
+
 ## Debugging
 
 If additional information is needed about which function returns the error and why, `debug` feature can be enabled.
@@ -66,6 +69,4 @@ information about the error. This feature potentially is not zero-cost so it is
 
 ## Benchmarks
 
-Functions provided in this crate are intended for use in, i. a., numerical models. To provide the user information about performance overhead of each function all functions are benchmarked using [criterion.rs](https://bheisler.github.io/criterion.rs/book/index.html). Github Actions automatically runs all benchmarks.
-
-To check the latest benchmark results the newest workflow on [Github Actions page of floccus](https://github.com/ScaleWeather/floccus/actions).
+Functions provided in this crate are intended for use in, i. a., numerical models. To provide the user information about performance overhead of each function all functions are can be benchmarked using [criterion.rs](https://bheisler.github.io/criterion.rs/book/index.html).

benches/equivalent_potential_temperature.rs

@@ -1,11 +1,59 @@
-use criterion::{Criterion, black_box, criterion_group, criterion_main};
-use floccus::equivalent_potential_temperature;
+use criterion::{criterion_group, criterion_main, Criterion};
+use floccus::{formulas::equivalent_potential_temperature, formulas::Formula4};
 
-pub fn equivalent_potential_temperature_benchmark(c: &mut Criterion) {
-    c.bench_function("equivalent_potential_temperature::bryan1", |b| {
-        b.iter(|| equivalent_potential_temperature::bryan1(black_box(300.0), black_box(101325.0), black_box(3000.0)))
+mod utils;
+use utils::ReferenceValues;
+
+pub fn benchmark(c: &mut Criterion) {
+    let ref_norm = ReferenceValues::normal();
+
+    let mut group = c.benchmark_group("equivalent_potential_temperature");
+
+    group.bench_function("Bolton1", |b| {
+        b.iter(|| {
+            equivalent_potential_temperature::Bolton1::compute(
+                ref_norm.pres,
+                ref_norm.temp,
+                ref_norm.dwpt,
+                ref_norm.vapr,
+            )
+        })
+    });
+
+    group.bench_function("Bolton2", |b| {
+        b.iter(|| {
+            equivalent_potential_temperature::Bolton2::compute(
+                ref_norm.temp,
+                ref_norm.dwpt,
+                ref_norm.mxrt,
+                ref_norm.thet,
+            )
+        })
+    });
+
+    group.bench_function("Bryan1", |b| {
+        b.iter(|| {
+            equivalent_potential_temperature::Bryan1::compute(
+                ref_norm.temp,
+                ref_norm.mxrt,
+                ref_norm.rehu,
+                ref_norm.thet,
+            )
+        })
+    });
+
+    group.bench_function("Paluch1", |b| {
+        b.iter(|| {
+            equivalent_potential_temperature::Kerry1::compute(
+                ref_norm.temp,
+                ref_norm.pres,
+                ref_norm.mxrt,
+                ref_norm.rehu,
+            )
+        })
     });
+    group.finish();
 }
 
-criterion_group!(benches, equivalent_potential_temperature_benchmark);
-criterion_main!(benches);
+criterion_group!(benches, benchmark);
+criterion_main!(benches);