Use rascaline calculators inside metatensor's atomistic models #228
Workflow file for this run
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name: Rust tests | |
on: | |
push: | |
branches: [master] | |
pull_request: | |
# Check all PR | |
concurrency: | |
group: rust-tests-${{ github.ref }} | |
cancel-in-progress: ${{ github.ref != 'refs/heads/master' }} | |
jobs: | |
tests: | |
runs-on: ${{ matrix.os }} | |
name: ${{ matrix.os }} / rust ${{ matrix.rust-version }} ${{ matrix.extra-name }} | |
container: ${{ matrix.container }} | |
defaults: | |
run: | |
working-directory: ${{ matrix.working-directory }} | |
strategy: | |
matrix: | |
include: | |
- os: ubuntu-20.04 | |
rust-version: stable | |
rust-target: x86_64-unknown-linux-gnu | |
build-type: debug | |
test-static-lib: true | |
extra-name: / static C library | |
working-directory: /home/runner/work/rascaline/rascaline/ | |
- os: ubuntu-20.04 | |
rust-version: stable | |
rust-target: x86_64-unknown-linux-gnu | |
build-type: release | |
cargo-build-flags: --release | |
do-valgrind: true | |
extra-name: / release valgrind | |
working-directory: /home/runner/work/rascaline/rascaline/ | |
# check the build on a stock Ubuntu 20.04, including cmake 3.16 | |
- os: ubuntu-20.04 | |
rust-version: "1.65" | |
container: ubuntu:20.04 | |
rust-target: x86_64-unknown-linux-gnu | |
build-type: debug | |
extra-name: / cmake 3.16 | |
working-directory: /__w/rascaline/rascaline | |
- os: macos-11 | |
rust-version: stable | |
rust-target: x86_64-apple-darwin | |
build-type: debug | |
working-directory: /Users/runner/work/rascaline/rascaline/ | |
- os: windows-2019 | |
rust-version: stable | |
rust-target: x86_64-pc-windows-msvc | |
build-type: debug | |
working-directory: C:\\rascaline | |
steps: | |
- name: install dependencies in container | |
if: matrix.container == 'ubuntu:20.04' | |
run: | | |
apt update | |
apt install -y software-properties-common | |
apt install -y cmake make gcc g++ git curl python3-pip python3-venv | |
ln -s /usr/bin/python3 /usr/bin/python | |
working-directory: / | |
- name: free disk space | |
if: matrix.os == 'ubuntu-20.04' | |
run: sudo rm -rf /usr/share/dotnet /usr/local/lib/android || true | |
- uses: actions/checkout@v3 | |
- name: "copy the code to C: drive" | |
if: matrix.os == 'windows-2019' | |
run: cp -r ${{ github.workspace }} ${{ matrix.working-directory }} | |
working-directory: / | |
- name: setup Python | |
uses: actions/setup-python@v4 | |
if: "!matrix.container" | |
with: | |
python-version: "3.11" | |
- name: setup rust | |
uses: dtolnay/rust-toolchain@master | |
with: | |
toolchain: ${{ matrix.rust-version }} | |
target: ${{ matrix.rust-target }} | |
- name: install valgrind | |
if: matrix.do-valgrind | |
run: | | |
sudo apt-get update | |
sudo apt-get install -y valgrind | |
- name: Setup sccache | |
uses: mozilla-actions/[email protected] | |
with: | |
version: "v0.5.4" | |
- name: Setup sccache environnement variables | |
run: | | |
echo "SCCACHE_GHA_ENABLED=true" >> $GITHUB_ENV | |
echo "RUSTC_WRAPPER=sccache" >> $GITHUB_ENV | |
echo "CMAKE_C_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
echo "CMAKE_CXX_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
- name: unit tests | |
run: cargo test --lib --target ${{ matrix.rust-target }} ${{ matrix.cargo-build-flags }} | |
- name: documentation tests | |
run: cargo test --doc --target ${{ matrix.rust-target }} ${{ matrix.cargo-build-flags }} | |
- name: integration tests | |
env: | |
RASCALINE_TEST_WITH_STATIC_LIB: ${{ matrix.test-static-lib || 0 }} | |
run: | | |
cargo test --test "*" --package rascaline --target ${{ matrix.rust-target }} ${{ matrix.cargo-build-flags }} | |
cargo test --test "*" --package rascaline-c-api --target ${{ matrix.rust-target }} ${{ matrix.cargo-build-flags }} | |
# second set of jobs checking that (non-test) code still compiles/run as expected | |
prevent-bitrot: | |
runs-on: ubuntu-20.04 | |
name: check examples / benchmarks | |
strategy: | |
matrix: | |
include: | |
- rust-version: | |
rust-target: | |
steps: | |
- uses: actions/checkout@v3 | |
- name: setup rust | |
uses: dtolnay/rust-toolchain@master | |
with: | |
toolchain: stable | |
- name: Setup sccache | |
uses: mozilla-actions/[email protected] | |
with: | |
version: "v0.5.4" | |
- name: Setup sccache environnement variables | |
run: | | |
echo "SCCACHE_GHA_ENABLED=true" >> $GITHUB_ENV | |
echo "RUSTC_WRAPPER=sccache" >> $GITHUB_ENV | |
echo "CMAKE_C_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
echo "CMAKE_CXX_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
- name: check that examples compile & run | |
run: cargo run --release --example compute-soap -- rascaline/examples/data/water.xyz | |
- name: check that benchmarks compile and run once | |
run: cargo bench -- --test | |
# third set of jobs checking containing basic rust linting | |
lint-rust: | |
runs-on: ubuntu-20.04 | |
name: Lint Rust code | |
strategy: | |
matrix: | |
include: | |
- rust-version: stable | |
rust-target: x86_64-unknown-linux-gnu | |
steps: | |
- uses: actions/checkout@v3 | |
- name: setup rust | |
uses: dtolnay/rust-toolchain@master | |
with: | |
toolchain: ${{ matrix.rust-version }} | |
target: ${{ matrix.rust-target }} | |
- name: install dependencies | |
run: | | |
wget https://github.com/BurntSushi/ripgrep/releases/download/13.0.0/ripgrep-13.0.0-x86_64-unknown-linux-musl.tar.gz | |
tar xf ripgrep-13.0.0-x86_64-unknown-linux-musl.tar.gz | |
echo "$(pwd)/ripgrep-13.0.0-x86_64-unknown-linux-musl" >> $GITHUB_PATH | |
- name: check for leftover dbg! | |
run: | | |
# use ripgrep (rg) to check for instances of `dbg!` in rust files. | |
# rg will return 1 if it fails to find a match, so we invert it again | |
# with the `!` builtin to get the error/success in CI | |
! rg "dbg!" --type=rust --quiet |