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Fix Linux PyPI installation dependencies - #252

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Daniel Zügner (danielzuegner) merged 1 commit into
mainfrom
fix/linux-pypi-install
Aug 27, 2026
Merged

Fix Linux PyPI installation dependencies#252
Daniel Zügner (danielzuegner) merged 1 commit into
mainfrom
fix/linux-pypi-install

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@danielzuegner

@danielzuegner Daniel Zügner (danielzuegner) commented Jul 28, 2026

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Summary

  • use PyPI-compatible PyTorch 2.2.1 dependency pins on Linux
  • align repository-managed PyTorch and PyG wheels on CUDA 12.1
  • document the PyG wheel source needed for direct PyPI installation
  • preserve the existing one-command source installation workflow

Dependency

This fixes dependency resolution, but a fully usable installed CLI also requires the runtime-resource work in PR #263. Merge and release both changes together before closing the issue.

Validation

  • resolved the built MatterGen wheel in a clean Python 3.10 environment
  • confirmed matching CUDA 12.1 wheels for torch, torchvision, torchaudio, torch-cluster, torch-scatter, and torch-sparse

Fixes #246

Use PyPI-compatible PyTorch pins while aligning the repository's Linux CUDA and PyG wheel sources on CUDA 12.1. Document the external PyG wheel source required by direct PyPI installs.\n\nCo-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>\nCopilot-Session: 6d151412-121a-41f5-a0ab-bd6a3614c96e
@danielzuegner
Daniel Zügner (danielzuegner) merged commit 9242366 into main Aug 27, 2026
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Cannot install on Linux

2 participants