Installation

Building from Source

Source code is not open yet. You can download binary files from https://github.com/lenhanpham/OpenQuantum-binary

# Clone the repository
git clone https://github.com/lenhanpham/OpenQuantum
cd OpenQuantum

# Build in release mode
cargo build --release

# Run all tests
cargo test

Note: The workspace contains multiple crates. The binary is named oquantum. When running the program, use -p oquantum to specify the package:

cargo run --release -p oquantum -- <input_file>

Requirements

  • Rust 1.70+ (stable toolchain)
  • Cargo (comes with Rust)
  • Git (for cloning the repository)

Platform Support

OpenQuantum builds and runs on:

  • Linux (x86_64, aarch64)
  • macOS (Intel, Apple Silicon)
  • Windows (x86_64)

Verifying the Installation

After building, test with a minimal input:

cat > test.inp << 'EOF'
task: RHF STO-3G

MOLECULE
  Charge        0
  Multiplicity  1
  Units         Angstrom
END

GEOMETRY
  H  0.0  0.0  0.0
  H  0.0  0.0  1.4
END
EOF

cargo run --release -p oquantum -- test.inp

You should see an RHF energy calculation output for Hâ‚‚ with STO-3G basis.