Known supported platforms

RustiQ is written almost entirely in Rust, which makes it portable across a wide range of operating systems and processor architectures. The CLI and the rustiq-chem-core library are known to work on the platforms below. Automated build and test checks help maintain that compatibility as the project evolves.

Other Rust targets may also work. This table describes known compatibility; it is not an exhaustive list of every platform on which RustiQ could run. Native dependencies and optional tools can impose additional requirements.

Choosing an environment

The Cargo workflow builds RustiQ directly on your operating system. It is available on all the platforms listed above. The Nix flake provides a prepared Rust and scientific Python environment for these systems:

• x86_64-linux;
• aarch64-linux;
• aarch64-darwin (Apple Silicon).

The pinned nixpkgs revision no longer supports Intel macOS, so use native Cargo or the Linux Dev Container on that platform. Native Windows users can also use Cargo; Nix requires a Linux environment such as WSL2.

The optional VS Code Dev Container provides a Linux environment through Docker. It is an option on all the host platforms in the table, including Linux and Windows ARM64, provided Docker can run Linux containers on the host. Inside the container, Nix uses x86_64-linux or aarch64-linux according to the container architecture, even when the host runs Windows or macOS. See Development environments for installation instructions, Windows troubleshooting, and the configured VS Code extensions.

The optional scientific Python tools have their own platform requirements. The project configures uv for Linux and macOS, and the Nix environment provides PySCF on every declared Nix system. For PySCF comparisons on Windows, use WSL2 or the Linux Dev Container.

How compatibility is checked

The regular CI workflow provides ongoing evidence for this support:

• Native Cargo checks cover Linux x86_64, Windows x86_64 and ARM64, and macOS Apple Silicon and Intel. They run formatting, Clippy, workspace tests with and without the online feature, and standalone core checks.
• Nix checks cover Linux x86_64 and AArch64 and macOS Apple Silicon. They build RustiQ, exercise the development shells, and compare reference energies against PySCF.
• The Dev Container is built and tested on Linux x86_64, including Cargo tests and PySCF comparisons. Separate Windows and macOS host integrations are not exercised by these checks.
• The standalone uv environment is checked on Linux x86_64.

The scheduled full Nix workflow also runs all native flake checks on the three declared Nix systems. These checks validate known configurations; they do not limit the possible platforms for the Rust application.