Release v0.1.0 (#5)

.github/workflows/release.yml

@@ -0,0 +1,120 @@
+name: Release
+
+on:
+  push:
+    tags: ["v*"]
+
+jobs:
+  linux:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+      - name: Build Wheels
+        uses: PyO3/maturin-action@v1
+        with:
+          manylinux: auto
+          command: build
+          args: --profile release-lto --out dist
+      - name: Upload wheels
+        uses: actions/upload-artifact@v3
+        with:
+          name: dist
+          path: dist
+
+  macos:
+    runs-on: macos-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+          architecture: x64
+      - name: Install Rust toolchain
+        uses: actions-rs/toolchain@v1
+        with:
+          toolchain: stable
+          profile: minimal
+          default: true
+      - name: Build wheels - x86_64
+        uses: PyO3/maturin-action@v1
+        with:
+          target: x86_64
+          args: --profile release-lto --out dist
+      - name: Upload wheels
+        uses: actions/upload-artifact@v3
+        with:
+          name: dist
+          path: dist
+  macos_universal2:
+    runs-on: macos-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+          architecture: x64
+      - name: Install Rust toolchain
+        uses: actions-rs/toolchain@v1
+        with:
+          toolchain: stable
+          profile: minimal
+          default: true
+      - name: Build wheels - universal2
+        uses: PyO3/maturin-action@v1
+        with:
+          args: --release --target universal2-apple-darwin --out dist
+      - name: Upload wheels
+        uses: actions/upload-artifact@v3
+        with:
+          name: dist
+          path: dist
+  windows:
+    runs-on: windows-latest
+    strategy:
+      matrix:
+        target: [x64, x86]
+    steps:
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+          architecture: ${{ matrix.target }}
+      - name: Install Rust toolchain
+        uses: actions-rs/toolchain@v1
+        with:
+          toolchain: stable
+          profile: minimal
+          default: true
+      - name: Build wheels
+        uses: PyO3/maturin-action@v1
+        with:
+          target: ${{ matrix.target }}
+          args: --profile release-lto --out dist
+      - name: Upload wheels
+        uses: actions/upload-artifact@v3
+        with:
+          name: dist
+          path: dist
+
+  deploy-pypi:
+    name: Publish wheels to PyPI
+    runs-on: ubuntu-latest
+    needs: [linux, windows, macos]
+    steps:
+      - uses: actions/download-artifact@v2
+        with:
+          name: dist
+          path: dist
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+      - name: Publish to PyPi
+        env:
+          TWINE_USERNAME: __token__
+          TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN_PREHNER }}
+        run: |
+          pip install --upgrade twine
+          twine upload --skip-existing dist/*

CHANGELOG.md

@@ -0,0 +1,11 @@
+# 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]
+
+## [0.1.0] - 2024-04-15
+### Added
+- Initial release

Cargo.toml

@@ -5,8 +5,7 @@ authors = ["Philipp Rehner <prehner@ethz.ch>"]
 edition = "2021"
 readme = "README.md"
 license = "MIT OR Apache-2.0"
-description = "FeOs - A framework for equations of state and classical density functional theory."
-homepage = "https://github.com/feos-org"
+description = "FeOs-torch - Automatic differentiation of phase equilibria."
 repository = "https://github.com/feos-org/feos-torch"
 keywords = ["physics", "thermodynamics", "equations_of_state", "phase_equilibria"]
 categories = ["science"]

requirements.txt

@@ -0,0 +1,3 @@
+torch
+numpy
+si-units