adding building with pyproject.toml #305
Workflow file for this run
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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-pytest | |
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 -v --config-settings testing=True . | |
env: | |
DEBUG: 1 | |
- name: Test | |
run: | | |
pymol -ckqy testing/testing.py --run all | |
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 pyqt glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest 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 . | |
- name: Test | |
shell: cmd | |
run: | | |
CALL %CONDA_ROOT%\\Scripts\\activate.bat | |
pymol.bat -ckqy testing\\testing.py --run all | |
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 pyqt glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest 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:$PATH" | |
pip install -v --config-settings testing=True . | |
- name: Test | |
run: |- | |
export PATH="$CONDA_ROOT/bin:$PATH" | |
pymol -ckqy testing/testing.py --run all |