refactoring shortcut.py script #341
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| name: CI | |
| on: [push, pull_request] | |
| jobs: | |
| build-Linux: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/[email protected] | |
| - name: Install system dependencies | |
| run: > | |
| sudo apt-get update; | |
| sudo apt-get --no-install-recommends install | |
| catch2 | |
| cmake | |
| libfreetype6-dev | |
| libglew-dev | |
| libglm-dev | |
| libmsgpack-dev | |
| libnetcdf-dev | |
| libpng-dev | |
| libxml2-dev | |
| python-is-python3 | |
| python3-biopython | |
| python3-dev | |
| python3-setuptools | |
| python3-numpy | |
| python3-pil | |
| python3-pip | |
| - name: Install collada2gltf | |
| run: | | |
| wget -nv https://anaconda.org/schrodinger/collada2gltf/2.1.4/download/linux-64/collada2gltf-2.1.4-h6bb024c_0.tar.bz2 | |
| sudo tar xf collada2gltf-*.tar.bz2 -C / bin/collada2gltf | |
| - name: Get additional sources | |
| run: | | |
| git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git | |
| cp -R mmtf-cpp/include/mmtf* include/ | |
| - name: Build | |
| run: | | |
| pip install --upgrade pip | |
| pip install -v --config-settings testing=True .[dev] | |
| env: | |
| DEBUG: 1 | |
| - name: Test | |
| run: | | |
| pymol -ckqy testing/testing.py --run all | |
| python -m pytest tests/ | |
| build-Windows: | |
| runs-on: windows-latest | |
| env: | |
| CONDA_ROOT: ${{github.workspace}}\..\tmp\mambaforge | |
| MAMBAFORGE_EXEC: ${{github.workspace}}\..\tmp\mambaforge.exe | |
| steps: | |
| - uses: actions/[email protected] | |
| - name: Download miniconda | |
| shell: cmd | |
| run: |- | |
| if not exist %CONDA_ROOT% mkdir %CONDA_ROOT% | |
| curl -L -o %MAMBAFORGE_EXEC% https://github.com/conda-forge/miniforge/releases/download/24.3.0-0/Mambaforge-24.3.0-0-Windows-x86_64.exe | |
| start /wait %MAMBAFORGE_EXEC% /S /D=%CONDA_ROOT% | |
| - name: Set up Miniconda | |
| shell: cmd | |
| run: |- | |
| CALL %CONDA_ROOT%\\Scripts\\activate.bat | |
| conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyside6 glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pip python-build | |
| - name: Conda info | |
| shell: cmd | |
| run: |- | |
| CALL %CONDA_ROOT%\\Scripts\\activate.bat | |
| conda info | |
| - name: Get additional sources | |
| shell: cmd | |
| run: | | |
| git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git | |
| cp -R mmtf-cpp/include/mmtf* %CONDA_ROOT%/Library/include/ | |
| git clone --depth 1 --single-branch --branch cpp_master https://github.com/msgpack/msgpack-c.git | |
| cp -R msgpack-c/include/msgpack* %CONDA_ROOT%/Library/include/ | |
| - name: Build PyMOL | |
| shell: cmd | |
| run: | | |
| CALL %CONDA_ROOT%\\Scripts\\activate.bat | |
| pip install -v --config-settings testing=True .[dev] | |
| - name: Test | |
| shell: cmd | |
| run: | | |
| CALL %CONDA_ROOT%\\Scripts\\activate.bat | |
| pymol -ckqy testing\\testing.py --run all | |
| python -m pytest tests | |
| build-MacOS: | |
| runs-on: macos-latest | |
| env: | |
| CONDA_ROOT: "/tmp/miniconda" | |
| steps: | |
| - uses: actions/[email protected] | |
| - name: Set up Miniconda and Build | |
| run: |- | |
| curl -L -o $CONDA_ROOT.sh https://github.com/conda-forge/miniforge/releases/download/24.3.0-0/Mambaforge-MacOSX-x86_64.sh | |
| bash $CONDA_ROOT.sh -b -p $CONDA_ROOT | |
| export PATH="$CONDA_ROOT/bin:$PATH" | |
| conda config --set quiet yes | |
| conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyside6 glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pip python-build | |
| conda info | |
| - name: Get additional sources | |
| run: | | |
| git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git | |
| cp -R mmtf-cpp/include/mmtf* ${CONDA_ROOT}/include/ | |
| git clone --depth 1 --single-branch --branch cpp_master https://github.com/msgpack/msgpack-c.git | |
| cp -R msgpack-c/include/msgpack* ${CONDA_ROOT}/include/ | |
| - name: Build PyMOL | |
| run: |- | |
| export MACOSX_DEPLOYMENT_TARGET=12.0 | |
| export PATH="$CONDA_ROOT/bin:$PATH" | |
| pip install -v --config-settings testing=True .[dev] | |
| - name: Test | |
| run: |- | |
| export PATH="$CONDA_ROOT/bin:$PATH" | |
| pymol -ckqy testing/testing.py --run all | |
| python -m pytest tests/ |