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build.yml
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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-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 -vv
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 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 -vv
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 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 -vv