IQC User Distribution

This repository hosts the public binary-only IQC user distribution.

IQC source code is not included in this repository or in the release installer. The installer contains compiled IQC extension modules, dependency wheels, verification scripts, and public examples.

License

IQC binary releases are licensed under the PolyForm Noncommercial License 1.0.0. Commercial use requires a separate commercial license from the IQC authors.

Third-party dependencies included in the offline wheelhouse remain governed by their respective licenses.

Requirements

• Linux x86_64
• CPython 3.12.x with venv support
• NVIDIA A100/A800 GPU (sm_80)
• NVIDIA driver with nvidia-smi
• Driver support for CUDA 12 applications

An installed CUDA toolkit is not required for normal installation. The release bundle includes CUDA 12 user-space Python wheels.

Download

Download the release bundle from the latest GitHub Release:

curl -L -O https://raw.githubusercontent.com/YuleZhang936/iqc-user/main/download_iqc.sh
bash download_iqc.sh v1.0.2

The script downloads all release parts, verifies each part, joins them into iqc-linux-x64-cp312-cu12-sm80.tar.gz, verifies the joined tarball, and extracts it.

Install

cd iqc-linux-x64-cp312-cu12-sm80
bash install.sh
source .venv-iqc/bin/activate
python verify.py

If Python 3.12 is not named python3.12, pass it explicitly:

PYTHON=/path/to/python3.12 bash install.sh

Examples

After installation and activation:

python examples/dft/rks.py
python examples/tddft/rtd.py
python examples/satddft/h2o.py
IQC_IXC_HE_STEPS=0 python examples/ixc/he.py

Manual Download

If you prefer not to use download_iqc.sh, download these release assets into one directory:

• iqc-linux-x64-cp312-cu12-sm80.tar.gz.part00
• iqc-linux-x64-cp312-cu12-sm80.tar.gz.part01
• PARTS_SHA256SUMS.txt
• SHA256SUMS.txt

Then run:

sha256sum -c PARTS_SHA256SUMS.txt
cat iqc-linux-x64-cp312-cu12-sm80.tar.gz.part* > iqc-linux-x64-cp312-cu12-sm80.tar.gz
sha256sum -c SHA256SUMS.txt
tar -xf iqc-linux-x64-cp312-cu12-sm80.tar.gz

On macOS, replace sha256sum -c with shasum -a 256 -c.

Source Visibility

The IQC wheel contains compiled extension modules and package __init__.py files only. Core modules such as iqc.scf, iqc.xc, and iqc.satddft.sadrive are installed as .so files.

Native binaries can still be analyzed by determined reverse engineering. For stronger IP protection, run IQC as a server-side service.