aiidalab-qe-wannier90

v0.1.9 suspicious
4.0
Medium Risk

Web GUI for Quantum ESPRESSO and Wannier90 calculations in AiiDA.

🤖 AI Analysis

Final verdict: SUSPICIOUS

The package shows low risk in terms of direct threats like network calls or obfuscation but raises some concerns due to the maintainer's new or inactive account and limited package history.

  • Maintainer has a new or inactive account
  • Limited package history
Per-check LLM notes
  • Network: No network calls detected, which is normal unless the package requires online services.
  • Shell: No shell executions detected, indicating no immediate risk of command execution.
  • Obfuscation: No obfuscation patterns detected, indicating low risk.
  • Credentials: No credential harvesting patterns detected, indicating low risk.
  • Metadata: The maintainer has a new or inactive account with limited package history and lacks a full author name.

📦 Package Quality Overall: Medium (6.4/10)

◈ Medium Test Suite 6.0

Partial test coverage signals detected

  • Test runner config found: pyproject.toml
◈ Medium Documentation 7.0

Some documentation present

  • Documentation URL: "documentation" -> https://aiidalab-qe-wannier90.readthedocs.io/
  • Detailed PyPI description (2376 chars)
○ Low Contributing Guide 4.0

No contributing guide or governance files found

  • Development Status classifier >= Beta
◈ Medium Type Annotations 5.0

Partial type annotation coverage

  • 5 type-annotated function signatures (partial)
✦ High Multiple Contributors 10.0

Active multi-contributor project

  • 6 unique contributor(s) across 49 commits in aiidalab/aiidalab-qe-wannier90
  • Active community — 5 or more distinct contributors

🔬 Heuristic Checks

✓ Outbound Network Calls

No suspicious network call patterns found

✓ Code Obfuscation

No obfuscation patterns detected

✓ Shell / Subprocess Execution

No shell execution patterns detected

✓ Credential Harvesting

No credential harvesting patterns detected

✓ Typosquatting

No typosquatting candidates detected

✓ Registered Email Domain

Email domain looks legitimate: gmail.com>

✓ Suspicious Page Links

All external links appear legitimate

✓ Git Repository History

Repository aiidalab/aiidalab-qe-wannier90 appears legitimate

⚠ Maintainer History score 4.0

2 maintainer concern(s) found

  • Author name is missing or very short
  • Author "" appears to have only 1 package on PyPI (new or inactive account)
✓ Known CVE Vulnerabilities

No known vulnerabilities found in OSV database.

💡 AI App Starter Prompt

Use this prompt to build a project with aiidalab-qe-wannier90 
Create a web-based application that streamlines the process of setting up and running Quantum ESPRESSO (QE) and Wannier90 calculations using the AiiDA workflow management system. Your application will leverage the 'aiidalab-qe-wannier90' package to provide a user-friendly interface for configuring these complex computational tasks.

### Project Scope:
- **User Interface**: Design a clean, intuitive web interface for users to input their calculation parameters.
- **Parameter Configuration**: Allow users to configure various parameters required for QE and Wannier90 calculations such as k-points, bands, and other relevant settings.
- **Job Submission**: Implement functionality to submit configured jobs to a computational backend through AiiDA.
- **Result Visualization**: Provide tools to visualize results from the calculations, such as band structures and Wannier functions.
- **Progress Tracking**: Enable users to track the progress of their submitted jobs and view logs.

### Core Features Utilizing 'aiidalab-qe-wannier90':
- Use the package's built-in widgets and functionalities to simplify the configuration of QE and Wannier90 inputs.
- Integrate the package's capabilities for interfacing with AiiDA to manage workflows and data storage efficiently.
- Leverage the package's visualization tools to display calculation outcomes directly within the web app.

### Step-by-Step Development Guide:
1. **Setup Environment**: Install necessary packages including 'aiidalab-qe-wannier90', AiiDA, and any dependencies.
2. **Frontend Development**: Build the web interface using HTML/CSS/JavaScript, possibly with frameworks like React or Vue.js for dynamic content.
3. **Backend Integration**: Develop the backend logic using Python, ensuring seamless integration with 'aiidalab-qe-wannier90' for handling QE/Wannier90 configurations and job submissions.
4. **Visualization Tools**: Incorporate visualization components provided by 'aiidalab-qe-wannier90' to present results effectively.
5. **Testing & Deployment**: Thoroughly test all functionalities and deploy the application on a server accessible via the web.

This project aims to create a powerful yet easy-to-use tool for researchers and scientists working with quantum materials simulations.

💬 Discussion Feed

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