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hpc-toolchains

Manage HPC build environments by selecting compilers and configuring CMake.

71|9|Updated Mar 16, 2026
Search Tags:#HPC#build system#compiler#CMake#toolchain
One-click install
npx skills add https://github.com/SciMate-AI/HPC-Skills --skill hpc-toolchains
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: hpc-toolchains
Source: https://github.com/SciMate-AI/HPC-Skills/tree/main/skills/hpc-toolchains
Command: npx skills add https://github.com/SciMate-AI/HPC-Skills --skill hpc-toolchains

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes scripts (resource) and references (resource) and assets (resource) components.

What problem does it solve?

This Skill helps users manage and optimize HPC compiler and build-toolchain workflows, ensuring stable builds and configurations across different environments.

Core Features & Use Cases

  • Compiler Family Selection: Guide users in choosing between GCC, Clang, or vendor compilers based on compatibility and site preferences.
  • Configure and Build Strategy: Assist with CMake configuration, BLAS/LAPACK alignment, and environment module or Spack environment management.
  • Error Recovery: Provide detailed steps for recovering from common toolchain errors and ensuring consistent builds.
  • Quick Start: Build a minimal CMake project using the skill templates to get started.

Quick Start

Create a minimal CMake project for HPC builds with build-minimal-cmake-project.sh.

Frequently Asked Questions about hpc-toolchains

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I configure CMake for HPC builds with different compiler families?▼

To configure CMake for HPC builds, select a compatible compiler family such as GCC, Clang, or vendor compilers, then use environment modules or Spack to align build tools and ensure build consistency across your site.

What is the best way to align BLAS and LAPACK libraries in an HPC toolchain?▼

Aligning BLAS and LAPACK libraries in an HPC toolchain requires matching your selected compiler family with compatible linear algebra libraries, managed through Spack environments or system modules to prevent runtime conflicts.

Why does my HPC build fail when switching compiler families?▼

HPC builds fail when switching compiler families due to misaligned libraries or incompatible build tool configurations, requiring detailed error recovery steps to realign dependencies and restore build consistency.

Can I manage HPC build environments using Spack and environment modules together?▼

Yes, you can manage HPC build environments by using Spack and environment modules together to configure build tools, align libraries, and maintain consistency across various HPC workflows.

How do I start a minimal CMake project for an HPC environment?▼

Start a minimal CMake project for HPC environments by executing the build-minimal-cmake-project script, which applies pre-configured templates to establish a stable baseline build configuration.

When do I need to use vendor compilers instead of GCC or Clang in HPC?▼

Use vendor compilers instead of GCC or Clang in HPC when site preferences or specific hardware compatibility require vendor-optimized instruction sets to ensure maximum build stability and performance.

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