Reorganize features in order to use crate without openblas (#34)

* Reorganize features in order to use crate without openblas

* fix doctests

* add eigenvalue calculation and fix norm

* add tests for norm

* move ScalarOperand impl to ndarray feature

* remove too strict singularity criterion

* Separate python wheel (#35)

* Adds build_wheel directory that is used to build the python wheel

* Change workflows to use new crate for wheels

* change email adress in Cargo.toml and fix path for workflows

* update version and add changelog

* update README

Co-authored-by: Gernot Bauer <Bauer@itt.uni-stuttgart.de>

.github/workflows/documentation.yml

@@ -26,7 +26,7 @@ jobs:
         with:
           manylinux: auto
           command: build
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Install module
         run: |
           pip install num_dual --no-index --find-links dist --force-reinstall

.github/workflows/release.yml

@@ -35,7 +35,7 @@ jobs:
         with:
           manylinux: auto
           command: build
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Upload wheels
         uses: actions/upload-artifact@v2
         with:
@@ -60,11 +60,11 @@ jobs:
         uses: messense/maturin-action@v1
         with:
           target: x86_64
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Build wheels - universal2
         uses: messense/maturin-action@v1
         with:
-          args: --release --universal2 --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --universal2 --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Upload wheels
         uses: actions/upload-artifact@v2
         with:
@@ -92,7 +92,7 @@ jobs:
         uses: messense/maturin-action@v1
         with:
           target: ${{ matrix.target }}
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Upload wheels
         uses: actions/upload-artifact@v2
         with:
@@ -135,7 +135,7 @@ jobs:
         with:
           manylinux: auto
           command: build
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Install module
         run: |
           pip install num_dual --no-index --find-links dist --force-reinstall

.github/workflows/rust.yml

@@ -18,4 +18,4 @@ jobs:
       - name: Build
         run: cargo build --verbose
       - name: Run tests
-        run: cargo test --verbose --features="linalg openblas-static"
+        run: cargo test --verbose --features="openblas-static"

.github/workflows/wheels.yml

@@ -17,7 +17,7 @@ jobs:
         with:
           manylinux: auto
           command: build
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Upload wheels
         uses: actions/upload-artifact@v2
         with:
@@ -41,11 +41,11 @@ jobs:
         uses: messense/maturin-action@main
         with:
           target: x86_64
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Build wheels - universal2
         uses: messense/maturin-action@main
         with:
-          args: --release --universal2 --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --universal2 --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Upload wheels
         uses: actions/upload-artifact@v2
         with:
@@ -72,9 +72,9 @@ jobs:
         uses: messense/maturin-action@main
         with:
           target: ${{ matrix.target }}
-          args: --release --out dist --no-sdist --cargo-extra-args="--features python"
+          args: --release --out dist --no-sdist -m build_wheel/Cargo.toml
       - name: Upload wheels
         uses: actions/upload-artifact@v2
         with:
           name: dist
-          path: dist
+          path: dist

CHANGELOG.md

@@ -0,0 +1,14 @@
+# Changelog
+All notable changes to this project will be documented in this file.
+
+The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
+and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
+
+## [Unreleased]
+
+## [0.4.0] - 2021-12-16
+### Added
+- Implementations for LU decomposition and eigendecomposition of symmetric matrices that do not depend on external libraries (BLAS, LAPACK). [#34](https://github.com/itt-ustutt/num-dual/pull/34)
+
+### Packaging
+- Updated `pyo3` dependency to 0.15.

Cargo.toml

@@ -1,8 +1,8 @@
 [package]
 name = "num-dual"
-version = "0.3.0"
+version = "0.4.0"
 authors = ["Gernot Bauer <bauer@itt.uni-stuttgart.de>",
-           "Philipp Rehner <rehner@itt.uni-stuttgart.de>"]
+           "Philipp Rehner <prehner@ethz.ch>"]
 edition = "2018"
 readme = "README.md"
 license = "MIT OR Apache-2.0"
@@ -13,30 +13,21 @@ keywords = ["mathematics", "numerics", "differentiation"]
 categories = ["data-structures", "science", "mathematics"]
 exclude = ["/.github/*", "*.ipynb", "./docs/*"]
 
-[lib]
-name = "num_dual"
-crate-type = ["cdylib", "lib"]
-
 [dependencies]
 num-traits = "0.2"
 ndarray = { version = "0.15", optional = true }
 ndarray-linalg = { version = "0.14", optional = true }
-
-[dependencies.pyo3]
-version = "0.14"
-optional = true
-features = ["extension-module", "abi3", "abi3-py36", "multiple-pymethods"]
+pyo3 = { version = "0.15", optional = true }
 
 [features]
 default = []
 python = ["pyo3"]
-linalg = ["ndarray", "ndarray-linalg"]
-openblas-system = ["ndarray-linalg/openblas-system"]
-openblas-static = ["ndarray-linalg/openblas-static"]
-netlib-system = ["ndarray-linalg/netlib-system"]
-netlib-static = ["ndarray-linalg/netlib-static"]
-intel-mkl-static = ["ndarray-linalg/intel-mkl-static"]
-intel-mkl-system = ["ndarray-linalg/intel-mkl-system"]
+openblas-system = ["ndarray", "ndarray-linalg/openblas-system"]
+openblas-static = ["ndarray", "ndarray-linalg/openblas-static"]
+netlib-system = ["ndarray", "ndarray-linalg/netlib-system"]
+netlib-static = ["ndarray", "ndarray-linalg/netlib-static"]
+intel-mkl-static = ["ndarray", "ndarray-linalg/intel-mkl-static"]
+intel-mkl-system = ["ndarray", "ndarray-linalg/intel-mkl-system"]
 
 [dev-dependencies]
 criterion = "0.3"

README.md

@@ -14,22 +14,22 @@ Including bindings for python.
 
 ### Python
 
-You can install the python package either from pypi:
+The python package can be installed directly from PyPI:
 ```
 pip install num_dual
 ```
-or from source (you need a rust compiler for that):
-```
-pip install git+https://github.com/itt-ustutt/num-dual
-```
+[//]: # "or from source (you need a rust compiler for that):"
+[//]: # "```"
+[//]: # "pip install git+https://github.com/itt-ustutt/num-dual"
+[//]: # "```"
 
 ### Rust
 
 Add this to your `Cargo.toml`:
 
 ```toml
 [dependencies]
-num-dual = "0.3"
+num-dual = "0.4"
 ```
 
 ## Example

build_wheel/Cargo.toml

@@ -0,0 +1,22 @@
+[package]
+name = "num_dual"
+version = "0.4.0"
+authors = ["Gernot Bauer <bauer@itt.uni-stuttgart.de>",
+           "Philipp Rehner <prehner@ethz.ch>"]
+edition = "2018"
+readme = "../README.md"
+license = "MIT OR Apache-2.0"
+description = "Generalized (hyper) dual numbers for the calculation of exact (partial) derivatives"
+homepage = "https://github.com/itt-ustutt/num-dual"
+repository = "https://github.com/itt-ustutt/num-dual"
+keywords = ["mathematics", "numerics", "differentiation"]
+categories = ["data-structures", "science", "mathematics"]
+exclude = ["/.github/*", "*.ipynb", "./docs/*"]
+
+[lib]
+name = "num_dual"
+crate-type = ["cdylib"]
+
+[dependencies]
+num-dual = { path = "..", features = ["python"]}
+pyo3 = { version = "0.15", features = ["extension-module", "abi3", "abi3-py36", "multiple-pymethods"] }

build_wheel/src/lib.rs

@@ -0,0 +1,8 @@
+use num_dual as num_dual_rs;
+use pyo3::prelude::*;
+
+/// Implementation of SI numbers.
+#[pymodule]
+pub fn num_dual(_py: Python<'_>, m: &PyModule) -> PyResult<()> {
+    num_dual_rs::python::num_dual(_py, m)
+}

src/lib.rs

@@ -56,10 +56,8 @@ pub use hyperdual::{
 };
 pub use static_mat::{StaticMat, StaticVec};
 
-#[cfg(feature = "linalg")]
-mod linalg;
-#[cfg(feature = "linalg")]
-pub use linalg::*;
+#[cfg(feature = "ndarray")]
+pub mod linalg;
 
 #[cfg(feature = "python")]
 pub mod python;

src/linalg/linalg_ndarray.rs

@@ -4,10 +4,6 @@ use ndarray_linalg::convert::replicate;
 use ndarray_linalg::error::Result;
 use ndarray_linalg::*;
 
-impl<T: Clone + 'static, F: Clone + 'static> ScalarOperand for Dual<T, F> {}
-impl<T: Clone + 'static, F: Clone + 'static> ScalarOperand for HyperDual<T, F> {}
-impl<T: Clone + 'static, F: Clone + 'static> ScalarOperand for Dual3<T, F> {}
-
 type LU64 = LUFactorized<OwnedRepr<f64>>;
 
 pub trait FactorizeIntoDual {
@@ -58,7 +54,7 @@ impl SolveDual<f64> for Array2<f64> {
     /// is the argument, and `x` is the successful result.
     /// ```
     /// # use approx::assert_abs_diff_eq;
-    /// # use num_dual::SolveDual;
+    /// # use num_dual::linalg::SolveDual;
     /// # use ndarray::{arr1, arr2};
     /// let a = arr2(&[[1.0, 3.0],
     ///                [5.0, 7.0]]);
@@ -89,7 +85,7 @@ where
     /// ```
     /// # use approx::assert_abs_diff_eq;
     /// # use num_dual::Dual64;
-    /// # use num_dual::SolveDual;
+    /// # use num_dual::linalg::SolveDual;
     /// # use ndarray::{arr1, arr2};
     /// let a = arr2(&[[Dual64::new_scalar(1.0, 2.0), Dual64::new_scalar(3.0, 4.0)],
     ///                [Dual64::new_scalar(5.0, 6.0), Dual64::new_scalar(7.0, 8.0)]]);
@@ -128,7 +124,7 @@ where
     /// ```
     /// # use approx::assert_abs_diff_eq;
     /// # use num_dual::{DualVec64, StaticVec};
-    /// # use num_dual::SolveDual;
+    /// # use num_dual::linalg::SolveDual;
     /// # use ndarray::{arr1, arr2};
     /// let a = arr2(&[[DualVec64::new(1.0, StaticVec::new_vec([2.0, 1.0])), DualVec64::new(3.0, StaticVec::new_vec([4.0, 1.0]))],
     ///                [DualVec64::new(5.0, StaticVec::new_vec([6.0, 1.0])), DualVec64::new(7.0, StaticVec::new_vec([8.0, 1.0]))]]);
@@ -176,7 +172,7 @@ where
     /// ```
     /// # use approx::assert_abs_diff_eq;
     /// # use num_dual::HyperDual64;
-    /// # use num_dual::SolveDual;
+    /// # use num_dual::linalg::SolveDual;
     /// # use ndarray::{arr1, arr2};
     /// let a = arr2(&[[HyperDual64::new_scalar(1.0, 2.0, 3.0, 4.0), HyperDual64::new_scalar(2.0, 3.0, 4.0, 5.0)],
     ///                [HyperDual64::new_scalar(3.0, 4.0, 5.0, 6.0), HyperDual64::new_scalar(4.0, 5.0, 6.0, 7.0)]]);
@@ -225,7 +221,7 @@ where
     /// ```
     /// # use approx::assert_abs_diff_eq;
     /// # use num_dual::Dual3_64;
-    /// # use num_dual::SolveDual;
+    /// # use num_dual::linalg::SolveDual;
     /// # use ndarray::{arr1, arr2};
     /// let a = arr2(&[[Dual3_64::new(1.0, 2.0, 3.0, 4.0), Dual3_64::new(2.0, 3.0, 4.0, 5.0)],
     ///                [Dual3_64::new(3.0, 4.0, 5.0, 6.0), Dual3_64::new(4.0, 5.0, 6.0, 7.0)]]);
@@ -276,7 +272,7 @@ impl EighDual<Dual64> for Array2<Dual64> {
     /// ```
     /// # use approx::assert_abs_diff_eq;
     /// # use num_dual::Dual64;
-    /// # use num_dual::EighDual;
+    /// # use num_dual::linalg::EighDual;
     /// # use ndarray::{arr1, arr2};
     /// # use ndarray_linalg::UPLO;
     /// let a = arr2(&[[Dual64::new_scalar(2.0, 1.0), Dual64::new_scalar(2.0, 2.0)],
@@ -318,7 +314,7 @@ impl EighDual<DualVec64<2>> for Array2<DualVec64<2>> {
     /// ```
     /// # use approx::assert_abs_diff_eq;
     /// # use num_dual::{DualVec64, StaticVec};
-    /// # use num_dual::EighDual;
+    /// # use num_dual::linalg::EighDual;
     /// # use ndarray::{arr1, arr2};
     /// # use ndarray_linalg::UPLO;
     /// let a = arr2(&[[DualVec64::new(2.0, StaticVec::new_vec([1.0, 1.0])), DualVec64::new(2.0, StaticVec::new_vec([2.0, 1.0]))],