From 30fa66c48e92c8d9b5bac08df3d898d1e902cd44 Mon Sep 17 00:00:00 2001 From: Han Yang Date: Thu, 5 Dec 2024 21:27:58 +0800 Subject: [PATCH 1/3] add notes for python version and mac installation --- README.md | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index c941941..97eab87 100644 --- a/README.md +++ b/README.md @@ -23,7 +23,8 @@ This README provides a quick start guide. For more comprehensive information, pl ## Installation ### Prerequisite -* Python==3.9 +* `Python >= 3.9` + ### Install from PyPI > [!TIP] @@ -37,6 +38,8 @@ This README provides a quick start guide. For more comprehensive information, pl > conda activate mattersim > ``` > +> Although MatterSim can be installed with `Python > 3.9`, we recommend using `Python == 3.9` for optimal compatibility. +> Additionally, if you are using Mac OS X with Apple Silicon, please be aware of potential numerical instability with the MPS backend. In such cases, we advise using the CPU device for MatterSim. To install MatterSim, use the following command. Please note that downloading the dependencies may take some time: ```bash From e27b23bf907b82c430f7ba3d267f54ffe368d622 Mon Sep 17 00:00:00 2001 From: Han Yang Date: Thu, 5 Dec 2024 21:30:44 +0800 Subject: [PATCH 2/3] add downloads counts --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 97eab87..0e9a0b0 100644 --- a/README.md +++ b/README.md @@ -10,7 +10,7 @@ [![arXiv](https://img.shields.io/badge/arXiv-2405.04967-blue?logo=arxiv&logoColor=white.svg)](https://arxiv.org/abs/2405.04967) [![Requires Python 3.9+](https://img.shields.io/badge/Python-3.9+-blue.svg?logo=python&logoColor=white)](https://python.org/downloads) - +[![PyPI Downloads](https://static.pepy.tech/badge/mattersim)](https://pepy.tech/projects/mattersim) From 2095ef91647a03b0a3f911da5ca2383ece49ef76 Mon Sep 17 00:00:00 2001 From: Han Yang Date: Thu, 5 Dec 2024 21:38:17 +0800 Subject: [PATCH 3/3] move mac nots --- README.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 0e9a0b0..5c172c4 100644 --- a/README.md +++ b/README.md @@ -39,7 +39,6 @@ This README provides a quick start guide. For more comprehensive information, pl > ``` > > Although MatterSim can be installed with `Python > 3.9`, we recommend using `Python == 3.9` for optimal compatibility. -> Additionally, if you are using Mac OS X with Apple Silicon, please be aware of potential numerical instability with the MPS backend. In such cases, we advise using the CPU device for MatterSim. To install MatterSim, use the following command. Please note that downloading the dependencies may take some time: ```bash @@ -76,6 +75,9 @@ python setup.py build_ext --inplace ## Usage +> [!TIP] +> **Note for macOS Users:** If you are using macOS with Apple Silicon, please be aware of potential numerical instability with the MPS backend. We recommend using the CPU device for MatterSim on Mac to avoid these issues. + ### A minimal test ```python import torch