PQSetup

PQSetup prepares and validates simulation inputs for PQ in a local browser interface. It turns a structure and simulation plan into a portable run package whose inputs can be inspected before execution.

Get started · Build a run · Validation · Command line

Note

PQSetup is a pre-release project. File and Python interfaces may change before 1.0.

Quick start

PQSetup requires Python 3.11 or newer.

git clone https://github.com/MolarVerse/PQSetup.git
cd PQSetup
python3 -m venv .venv
source .venv/bin/activate
python -m pip install .
pqsetup

The interface is included in the Python package. Node.js is not required.

PQSetup structure import and preflight workspace

Structure import, centered-cell handling, and preflight in one workspace.

Documentation

Getting started

Installation, environment checks, and the first run package.

Getting started
Build a run

System, method, conditions, preparation, review, and shortcuts.

Build a run
Validation

Local preflight, environment discovery, and PQ parser checks.

Validation
Run packages

Restart order, launch scripts, provenance, and transfer.

Run packages
Command line

Start the interface, inspect the environment, and validate inputs.

Command line
Compatibility

PQ schema support, structure formats, cells, and platform notes.

Compatibility