@@ -3,178 +3,59 @@ name: CI
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on : [push, pull_request]
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jobs :
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- build-Linux :
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-
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- runs-on : ubuntu-22.04
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-
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- strategy :
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- matrix :
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- python-version : ["3.9", "3.10", "3.11", "3.12", "3.13"]
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-
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- steps :
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- - uses : actions/checkout@v4
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-
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- - name : Set up Python
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- uses : actions/setup-python@v5
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- with :
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- python-version : ${{ matrix.python-version }}
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-
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- - name : Install system dependencies
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- run : |
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- sudo apt-get update
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- sudo apt-get --no-install-recommends install \
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- catch2 \
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- libfreetype6-dev \
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- libglew-dev \
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- libglm-dev \
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- libmsgpack-dev \
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- libnetcdf-dev \
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- libpng-dev \
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- libxml2-dev
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-
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- - name : Install collada2gltf
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- run : |
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- wget -nv https://anaconda.org/schrodinger/collada2gltf/2.1.4/download/linux-64/collada2gltf-2.1.4-h6bb024c_0.tar.bz2
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- sudo tar xf collada2gltf-*.tar.bz2 -C / bin/collada2gltf
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-
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- - name : Get additional sources
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- run : |
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- git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git
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- cp -R mmtf-cpp/include/mmtf* include/
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-
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- - name : Build
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- run : |
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- pip install --upgrade pip
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- pip install -v --config-settings testing=True '.[dev]'
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- env :
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- DEBUG : 1
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-
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- - name : Test
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- run : |
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- pymol -ckqy testing/testing.py --run all
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-
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build-Windows :
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runs-on : windows-latest
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strategy :
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matrix :
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- python-version : ["3.9", "3.10", "3.11", "3.12", "3.13" ]
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+ python-version : ["3.9"]
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env :
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- CONDA_ROOT : ${{github.workspace}}\..\tmp\miniforge
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CONDA_ENV_NAME : " testing_env"
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- CONDA_PREFIX : ${{github.workspace}}\..\tmp\miniforge\envs\testing_env
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- MINIFORGE_EXEC : ${{github.workspace}}\..\tmp\miniforge.exe
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steps :
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- uses : actions/checkout@v4
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- - name : Download Miniforge
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+ - name : Install Miniforge
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run : |
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- if (-Not (Test-Path -Path $env:CONDA_ROOT)) {
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- New-Item -ItemType Directory -Path $env:CONDA_ROOT
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- }
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- Invoke-WebRequest -Uri https://github.com/conda-forge/miniforge/releases/download/24.11.0-0/Miniforge3-24.11.0-0-Windows-x86_64.exe -OutFile $env:MINIFORGE_EXEC
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- Start-Process -Wait -FilePath $env:MINIFORGE_EXEC -ArgumentList "/S", "/D=$env:CONDA_ROOT"
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+ choco install miniforge3 --yes --force
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- name : Add conda to PATH
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run : |
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- echo "$env:CONDA_ROOT " | Out-File -Append -FilePath $env:GITHUB_PATH
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- echo "$env:CONDA_ROOT \Scripts" | Out-File -Append -FilePath $env:GITHUB_PATH
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+ echo "$env:CONDA " | Out-File -Append -FilePath $env:GITHUB_PATH
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+ echo "$env:CONDA \Scripts" | Out-File -Append -FilePath $env:GITHUB_PATH
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- name : Set up Miniforge
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run : |
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- conda create -n $env:CONDA_ENV_NAME python=${{ matrix.python-version }} pip
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- activate $env:CONDA_ENV_NAME
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+ conda init powershell
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+ conda create --name $env:CONDA_ENV_NAME pip python=${{ matrix.python-version }}
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+ conda deactivate
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+ conda activate $env:CONDA_ENV_NAME
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conda install -y -c conda-forge -c schrodinger `
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- libpng `
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+ catch2=2.13.3 `
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+ cxx-compiler `
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+ collada2gltf `
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freetype `
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glew `
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- libxml2 `
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- catch2=2.13.3 `
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glm `
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+ libpng `
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+ libxml2 `
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libnetcdf `
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- collada2gltf `
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- libffi `
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- cxx-compiler
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- conda info
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+ libffi
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- name : Get additional sources
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run : |
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git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git
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Copy-Item -Recurse -Path mmtf-cpp/include/mmtf\* -Destination "$env:CONDA_PREFIX\Library\include"
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git clone --depth 1 --single-branch --branch cpp_master https://github.com/msgpack/msgpack-c.git
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Copy-Item -Recurse -Path msgpack-c/include/msgpack\* -Destination "$env:CONDA_PREFIX\Library\include"
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- dir mmtf-cpp/include/mmtf
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- dir msgpack-c/include/msgpack
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- dir "$env:CONDA_ROOT\envs\$env:CONDA_ENV_NAME\Library\include"
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- name : Build PyMOL
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run : |
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- activate $env:CONDA_ENV_NAME
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pip install -v --config-settings testing=True .[dev]
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- name : Test
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run : |
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- activate $env:CONDA_ENV_NAME
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pymol -ckqy testing\testing.py --run all
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- build-MacOS :
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-
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- runs-on : macos-latest
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-
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- strategy :
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- matrix :
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- python-version : ["3.9", "3.10", "3.11", "3.12", "3.13"]
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-
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- env :
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- CONDA_ROOT : " /tmp/miniforge"
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- CONDA_ENV_NAME : " testing_env"
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-
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- steps :
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-
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-
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- - name : Download Miniforge
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- run : |
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- curl -L -o $CONDA_ROOT.sh https://github.com/conda-forge/miniforge/releases/download/24.11.0-0/Miniforge3-MacOSX-x86_64.sh
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- bash $CONDA_ROOT.sh -b -p $CONDA_ROOT
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-
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- - name : Add conda to PATH
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- run : |
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- echo "${CONDA_ROOT}/bin" >> "$GITHUB_PATH"
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-
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- - name : Set up Miniforge
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- run : |
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- conda create -n $CONDA_ENV_NAME python=${{ matrix.python-version }} pip
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- source activate $CONDA_ENV_NAME
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- conda install -y -c conda-forge -c schrodinger \
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- libpng \
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- freetype \
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- glew \
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- libxml2 \
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- catch2=2.13.3 \
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- glm \
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- libnetcdf \
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- collada2gltf
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- conda info
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-
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- - name : Get additional sources
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- run : |
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- source activate $CONDA_ENV_NAME
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- git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git
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- cp -R mmtf-cpp/include/mmtf* ${CONDA_PREFIX}/include/
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- git clone --depth 1 --single-branch --branch cpp_master https://github.com/msgpack/msgpack-c.git
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- cp -R msgpack-c/include/msgpack* ${CONDA_PREFIX}/include/
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-
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- - name : Build PyMOL
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- run : |
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- source activate $CONDA_ENV_NAME
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- export MACOSX_DEPLOYMENT_TARGET=12.0
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- pip install -v --config-settings testing=True '.[dev]'
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-
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- - name : Test
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- run : |
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- source activate $CONDA_ENV_NAME
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- pymol -ckqy testing/testing.py --run all
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-
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