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Get Calango 26.8.16

MIT licensed. Building from source is the supported path today and takes three commands.

Prebuilt packages

macOS

Apple Silicon

Drag-and-drop disk image. The embedded Python interpreter ships inside the bundle.

Built from packaging/ — not yet published as a release asset.

Debian / Ubuntu

amd64

System package with dependencies declared. Installs the desktop entry and icon.

$ sudo apt install ./calango_26.8.16_amd64.deb

Built from packaging/ — not yet published as a release asset.

Conda

osx-arm64

Builds a local conda package, useful when you already manage the scientific stack that way.

$ packaging/conda/create_conda_osx-arm64.sh

Run the script in the repository; no channel upload yet.

Build from source

Clone seixas-research/calango, then work through the three steps below.

Requirements

  • A C++20 compiler
  • CMake 3.21 or newer
  • Qt 6.4+ — Widgets, OpenGLWidgets, Concurrent, Svg
  • Python 3.9+ with development headers

  1. 1. Python environment for the embedded interpreter

    $ python3 -m venv .venv $ .venv/bin/pip install ase numpy spglib pillow imageio imageio-ffmpeg paramiko

  2. 2. Configure and build

    $ cmake -S . -B build -DCMAKE_BUILD_TYPE=Release \ -DPython3_EXECUTABLE=$PWD/.venv/bin/python \ -DCMAKE_PREFIX_PATH=/path/to/Qt # e.g. /opt/homebrew/opt/qt $ cmake --build build -j

  3. 3. Run

    $ ./build/calango examples/Si_diamond.vasp # verify the embedded interpreter finds ASE $ ./build/calango --probe-python

The embedded interpreter is resolved as $CALANGO_PYTHON → $VIRTUAL_ENV → bundled interpreter → configure-time default. Simulation jobs are independent of it: every wizard has an execution-environment selector for conda environments or explicit interpreters.

Running the tests

Configure with -DCALANGO_BUILD_TESTS=ON, then ctest --test-dir build. The suite covers the pure C++ physics (builders, unfolding, magnetic groups, phonon thermodynamics), the generated Python scripts — parsed back by AST and exercised directly — and live GPAW benchmarks that self-skip when the response stack is absent.

Stuck on the build?

The Packaging Guide covers the embedded Python environment and dependency resolution in detail — that is where build problems usually live.

Documentation