equest: PySCF Environment/Driver Installation Guide for ASUS TUF Gaming F16 (WSL/Linux)

[sagaraidat-rgb]

Hello,

I would like to request guidance or a detailed installation guide for setting up PySCF on WSL (Windows Subsystem for Linux) and native Linux for my system:

Hardware/OS Specifications:

Laptop: ASUS TUF Gaming F16 (FX688JPR-QT043WS)

CPU: Intel Core i7-14650HX

GPU: NVIDIA RTX 5070

RAM: 32 GB

Storage: 1 TB

Display: 16” 2.5K

OS: Windows 11 Home (with WSL2 enabled) / Linux (dual boot planned)

Office Software: Office Home 2024 + M365 Basic (1 Year)

Request Details:

Recommended Python environment setup for PySCF.

Steps to install required drivers and dependencies for Intel CPU and NVIDIA GPU acceleration (CUDA, cuBLAS, etc.) for PySCF.

WSL-specific installation tips and Linux-specific differences.

Any known compatibility issues with RTX 5070 or i7-14650HX.

Sample environment.yml or pip/conda commands for easy setup.

Goal: To successfully run PySCF simulations on WSL/Linux leveraging GPU acceleration, while ensuring stable performance on this hardware configuration.

Thank you for your guidance!

[wxj6000]

I recently created a dockerfile for Blackwell GPUs. You don't have to run the docker container. Just run the command step by step it should work.

https://github.com/ByteDance-Seed/JoltQC/blob/main/.github/docker/Dockerfile