# LLMs as Packagers of HPC Software

arXiv: https://arxiv.org/abs/2511.05626 · HTML: https://mlsanity.com/paper/2511.05626/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 13 of its 36 references that are in the map.
- First posted on arXiv 7 Nov 2025.

## Builds on (most cited first, 13 of 13)

- [Retrieval-Augmented Generation for Knowledge-Intensive NLP Tasks](https://mlsanity.com/paper/2005.11401/) (2020)
- [Efficient Memory Management for Large Language Model Serving with PagedAttention](https://mlsanity.com/paper/2309.06180/) (2023)
- [SWE-agent: Agent-Computer Interfaces Enable Automated Software Engineering](https://mlsanity.com/paper/2405.15793/) (2024)
- [CodeRAG-Bench: Can Retrieval Augment Code Generation?](https://mlsanity.com/paper/2406.14497/) (2024)
- [We Have a Package for You! A Comprehensive Analysis of Package Hallucinations by Code Generating LLMs](https://mlsanity.com/paper/2406.10279/) (2024)
- [Repo2Run: Automated Building Executable Environment for Code Repository at Scale](https://mlsanity.com/paper/2502.13681/) (2025)
- [CoRNStack: High-Quality Contrastive Data for Better Code Retrieval and Reranking](https://mlsanity.com/paper/2412.01007/) (2024)
- [What to Retrieve for Effective Retrieval-Augmented Code Generation? An Empirical Study and Beyond](https://mlsanity.com/paper/2503.20589/) (2025)
- [An Empirical Comparison of Dependency Network Evolution in Seven Software Packaging Ecosystems](https://mlsanity.com/paper/1710.04936/) (2017)
- [CompileAgent: Automated Real-World Repo-Level Compilation with Tool-Integrated LLM-based Agent System](https://mlsanity.com/paper/2505.04254/) (2025)
- [CXXCrafter: An LLM-Based Agent for Automated C/C++ Open Source Software Building](https://mlsanity.com/paper/2505.21069/) (2025)
- [Scalable Delivery of Scalable Libraries and Tools: How ECP Delivered a Software Ecosystem for Exascale and Beyond](https://mlsanity.com/paper/2311.06995/) (2023)
- [Using Answer Set Programming for HPC Dependency Solving](https://mlsanity.com/paper/2210.08404/) (2022)

## Built on by (most cited first, 1 of 1)

- [AstraAI: LLMs, Retrieval, and AST-Guided Assistance for HPC Codebases](https://mlsanity.com/paper/2603.27423/) (2026)

## Abstract (arXiv)

High performance computing (HPC) software ecosystems are inherently heterogeneous, comprising scientific applications that depend on hundreds of external packages, each with distinct build systems, options, and dependency constraints. Tools such as Spack automate dependency resolution and environment management, but their effectiveness relies on manually written build recipes. As these ecosystems grow, maintaining existing specifications and creating new ones becomes increasingly labor-intensive. While large language models (LLMs) have shown promise in code generation, automatically producing correct and maintainable Spack recipes remains a significant challenge. We present a systematic analysis of how LLMs and context-augmentation methods can assist in the generation of Spack recipes. To this end, we introduce SpackIt, an end-to-end framework that combines repository analysis, retrieval of relevant examples, and iterative refinement through diagnostic feedback. We apply SpackIt to a representative subset of 308 open-source HPC packages to assess its effectiveness and limitations. Our results show that SpackIt increases installation success from 20% in a zero-shot setting to over 80% in its best configuration, demonstrating the value of retrieval and structured feedback for reliable package synthesis.