From a4822b5d09b6597239f9c5dbeb84f6b36f7a2fc5 Mon Sep 17 00:00:00 2001 From: Hadrien Mary Date: Thu, 30 Nov 2023 09:21:21 -0500 Subject: [PATCH] test pixi --- .gitattributes | 3 + .github/workflows/test-with-pixi.yml | 69 + .gitignore | 3 + pixi.lock | 31327 +++++++++++++++++++++++++ pixi.toml | 65 + 5 files changed, 31467 insertions(+) create mode 100644 .gitattributes create mode 100644 .github/workflows/test-with-pixi.yml create mode 100644 pixi.lock create mode 100644 pixi.toml diff --git a/.gitattributes b/.gitattributes new file mode 100644 index 00000000..16ef5c5f --- /dev/null +++ b/.gitattributes @@ -0,0 +1,3 @@ +# GitHub syntax highlighting +pixi.lock linguist-language=YAML + diff --git a/.github/workflows/test-with-pixi.yml b/.github/workflows/test-with-pixi.yml new file mode 100644 index 00000000..116b1c85 --- /dev/null +++ b/.github/workflows/test-with-pixi.yml @@ -0,0 +1,69 @@ +name: test-with-pixi + +on: + push: + branches: ["main"] + tags: ["*"] + pull_request: + branches: + - "*" + - "!gh-pages" + schedule: + - cron: "0 4 * * MON" + +jobs: + test: + strategy: + fail-fast: false + matrix: + # NOTE(hadim): for now we cannot test a matrix since it does not seem + # to be supported by pixi yet. + # python-version: ["3.10", "3.11"] + # os: ["ubuntu-latest", "macos-latest", "windows-latest"] + # rdkit-version: ["2023.03", "2023.09"] + python-version: ["3.11"] + os: ["ubuntu-latest"] + rdkit-version: ["2023.09"] + + runs-on: ${{ matrix.os }} + timeout-minutes: 30 + + defaults: + run: + shell: pixi run bash {0} + + name: | + os=${{ matrix.os }} + - python=${{ matrix.python-version }} + - rdkit=${{ matrix.rdkit-version }} + + steps: + - name: Checkout the code + uses: actions/checkout@v3 + + - uses: prefix-dev/setup-pixi@v0.4.1 + with: + pixi-version: v0.9.1 + cache: true + locked: true + frozen: false + log-level: default # one of `q`, `default`, `v`, `vv`, or `vvv`. + + - name: Install library + run: python -m pip install --no-deps -e . # `-e` required for correct `coverage` run. + + - name: Run tests + run: pytest + + - name: Codecov Upload + uses: codecov/codecov-action@v3 + with: + files: ./coverage.xml + flags: unittests + name: codecov-umbrella + fail_ci_if_error: false + verbose: false + env_vars: ${{ matrix.os }},${{ matrix.python-version }},${{ matrix.rdkit-version }} + + - name: Test building the doc + run: mkdocs build diff --git a/.gitignore b/.gitignore index e920d31b..33a857b8 100644 --- a/.gitignore +++ b/.gitignore @@ -65,3 +65,6 @@ site/ .idea/ __pycache__ +# pixi environments +.pixi + diff --git a/pixi.lock b/pixi.lock new file mode 100644 index 00000000..c95cbb9f --- /dev/null +++ b/pixi.lock @@ -0,0 +1,31327 @@ +version: 3 +metadata: + content_hash: + linux-64: e90c2ee71ad70fc0a1c8302029533a7d1498f2bffcd0eaa8d2934700e775dc1d + osx-64: e90c2ee71ad70fc0a1c8302029533a7d1498f2bffcd0eaa8d2934700e775dc1d + osx-arm64: e90c2ee71ad70fc0a1c8302029533a7d1498f2bffcd0eaa8d2934700e775dc1d + win-64: 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