diff --git a/.github/workflows/python-app-conda.yml b/.github/workflows/python-app-conda.yml index 5e93ffaf4..a947a0aab 100644 --- a/.github/workflows/python-app-conda.yml +++ b/.github/workflows/python-app-conda.yml @@ -14,39 +14,47 @@ jobs: runs-on: ubuntu-latest strategy: max-parallel: 5 - steps: - - uses: actions/checkout@v3 - - name: Set up Python 3.11 - uses: actions/setup-python@v3 - with: - python-version: '3.11' - - name: Add conda to system path - run: | - # $CONDA is an environment variable pointing to the root of the miniconda directory - echo $CONDA/bin >> $GITHUB_PATH - conda --version - - name: Change conda version and set channels - run: | - # RB: Bug in the most recent version (24.1.2) - conda install conda=23.11.0 python=3.11 - conda --version - conda config --remove channels defaults - conda config --add channels conda-forge - - name: Install dependencies - run: | - conda env update --file environment.yml --name base - - name: Check conda env - run: | - conda list - - name: Lint with flake8 - run: | - conda install flake8 - # stop the build if there are Python syntax errors or undefined names - flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics - # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide - flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics - - name: Test with pytest - run: | - conda install pytest - pytest + - uses: actions/checkout@v3 + - name: Set up Python 3.11 + uses: actions/setup-python@v3 + with: + python-version: '3.11' + - uses: conda-incubator/setup-miniconda@v3 + with: + miniforge-version: latest + - name: Add conda to system path + run: | + # $CONDA is an environment variable pointing to the root of the miniconda directory + echo $CONDA/bin >> $GITHUB_PATH + conda --version + conda info + conda list + conda config --show-sources + conda config --show + printenv | sort + conda env update --file environment.yml --name base + conda list + - name: check stuff + run: | + which python + which conda + which mamba + which pip + echo $PATH + which xtb + - name: Lint with flake8 + run: | + conda install flake8 + # stop the build if there are Python syntax errors or undefined names + flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics + # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide + flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics + - name: Test with pytest + run: | + conda install pytest + which python + pwd + ls + export PYTHONPATH=/home/runner/work/ash/ash:$PYTHONPATH + pytest -v diff --git a/environment.yml b/environment.yml index 1d1564462..bb636ad5c 100644 --- a/environment.yml +++ b/environment.yml @@ -4,7 +4,7 @@ channels: - conda-forge #Some basic easy-to-install packages for ASH dependencies: - - python=3.10 + - python=3.11 - pip - openmm - pdbfixer