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Add build configuration for app packaging and update icon path
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‎.github/workflows/build_app.yaml‎

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#A* -------------------------------------------------------------------
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#B* This file contains source code for running a GitHub automation
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#-* related to the build process of the PyMOL computer program
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#C* Copyright 2025 by Martin Urban.
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#D* -------------------------------------------------------------------
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#E* It is unlawful to modify or remove this copyright notice.
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#F* -------------------------------------------------------------------
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#G* Please see the accompanying LICENSE file for further information.
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#H* -------------------------------------------------------------------
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#I* Additional authors of this source file include:
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#-*
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#-*
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#-*
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#Z* -------------------------------------------------------------------
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name: Build app packages
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on: [push]
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jobs:
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# ----- Windows build section
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build-windows:
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strategy:
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fail-fast: false
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matrix:
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win_arch: ['x86', 'x64']
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runs-on: windows-latest
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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with:
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submodules: recursive
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- name: Setup Python 3.11
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uses: actions/setup-python@v5
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with:
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python-version: "3.11"
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- name: Create virtual environment
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run: |
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python -m venv .venv
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call .venv\Scripts\activate.bat
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python -m pip install --upgrade setuptools pip build
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python -m pip install -r requirements.txt
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shell: cmd
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- name: Download Inno Setup installer
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run: |
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Invoke-WebRequest -Uri https://files.jrsoftware.org/is/6/innosetup-6.4.2.exe -OutFile inno-setup.exe
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- name: Install Inno Setup
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run: |
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.\inno-setup.exe /SILENT
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- name: Add Inno Setup to PATH
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run: |
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$env:PATH += ";C:\Program Files (x86)\Inno Setup 6"
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- name: Build frozen Python application
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if: ${{ matrix.win_arch == 'x64' }}
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run: |
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.\win_automator.bat build app
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shell: powershell
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- name: Compile .iss file
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run: |
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iscc os_specific/windows/inno_setup/setup.iss
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- name: Upload artifact
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uses: actions/upload-artifact@v4
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with:
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name: Open-Source-PyMOL-Windows-${{ matrix.win_arch }}-Setup
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path: ./dist/*.exe
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# --- end
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# ----- macOS build section
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build-macos:
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strategy:
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fail-fast: false
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matrix:
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os: [ macos-13, macos-14 ]
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runs-on: ${{ matrix.os }}
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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with:
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submodules: recursive
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- name: Setup Python 3.11
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uses: actions/setup-python@v5
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with:
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python-version: "3.11"
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- name: Create virtual environment
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run: |
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python -m venv .venv
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source .venv/bin/activate
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python -m pip install wheel setuptools
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python -m pip install -r requirements.txt
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- name: Build app package
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run: |
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./automator.sh build app
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- name: Rename app package
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run: mv dist/open_source_pymol-3.1.0a0.app dist/Open-Source-PyMOL-3.1.0a0.app
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- name: Build DMG
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uses: urban233/create-dmg-actions@v0.0.2
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with:
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dmg_name: 'Open-Source-PyMOL'
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src_dir: 'dist/Open-Source-PyMOL-3.1.0a0.app'
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bg_filepath: 'alternative_design/dmg_bg.png'
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- name: Upload artifact
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uses: actions/upload-artifact@v4
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with:
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name: Open-Source-PyMOL-macOS-${{ matrix.arch }}-Setup
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path: ./*.dmg
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# --- end
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# ----- GNU Linux build section
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build-gnu-linux:
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runs-on: ubuntu-22.04
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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with:
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submodules: recursive
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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 install git build-essential libxmu-dev libxi-dev libgl-dev libglew-dev libpng-dev libfreetype6-dev libxml2-dev libmsgpack-dev libglm-dev libnetcdf-dev linux-libc-dev autoconf perl
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- name: Initialize vcpkg
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run: |
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git clone https://github.com/Microsoft/vcpkg.git vendor/vcpkg
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- name: Setup Python 3.11
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uses: actions/setup-python@v5
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with:
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python-version: "3.11"
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- name: Create virtual environment
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run: |
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python -m venv .venv
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source .venv/bin/activate
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python -m pip install wheel setuptools cibuildwheel
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python -m pip install -r requirements.txt
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- name: Bootstrap vcpkg
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run: ${{ env.VCPKG_ROOT }}/bootstrap-vcpkg.sh -disableMetrics
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- name: Install vcpkg dependencies
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run: |
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${{ env.VCPKG_ROOT }}/vcpkg install
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- name: Last build environment setup steps
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run: |
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source .venv/bin/activate
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python automations/my_automator.py setup dev-env
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- name: Build C extension
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run: |
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source .venv/bin/activate
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python automations/my_automator.py setup dev-env
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cibuildwheel .
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- name: Upload artifact
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uses: actions/upload-artifact@v4
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with:
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name: PyMOL-wheel-GNU-Linux-3.11
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path: ./wheelhouse/*.whl
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# --- end

‎alternative_design/splash2.png‎

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‎os_specific/macos/icon.icns‎

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‎os_specific/macos/setup_build_exe.py‎

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import toml
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from cx_Freeze import setup
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from automations.const import OS_SPECIFIC_DIR
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# <editor-fold desc="Module constants">
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tmp_pyproject_toml = toml.load("../pyproject.toml")
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PROJECT_NAME = tmp_pyproject_toml["project"]["name"]
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"target_name": "PyMOL",
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"script": pathlib.Path(PYMOL_PACKAGE_DIR / "startup_wrapper.py"),
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"base": "gui",
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"icon": pathlib.Path(PROJECT_ROOT_DIR / "alternative_design/icon.icns"),
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"icon": pathlib.Path(OS_SPECIFIC_DIR / "icon.icns"),
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}
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],
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)

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