From b428541d97a7cc4ced3912d15cfcadd796c8960c Mon Sep 17 00:00:00 2001 From: Jenny Fothergill Date: Fri, 3 May 2024 15:57:05 -0600 Subject: [PATCH] Update install instructions --- README.md | 22 +++++++--------------- 1 file changed, 7 insertions(+), 15 deletions(-) diff --git a/README.md b/README.md index 6be2c41..94f006e 100644 --- a/README.md +++ b/README.md @@ -12,29 +12,21 @@ GRiTS is a toolkit for working with coarse-grain systems. It uses [mBuild](https ### Installation #### Using a container -To use GRiTS in a prebuilt container (using [Singularity](https://singularity.lbl.gov/)), run: +To use GRiTS in a prebuilt container (using [Apptainer](https://apptainer.org/)), run: ```bash -singularity pull docker://ghcr.io/cmelab/grits:0.4.1 -singularity exec grits_0.4.1.sif bash +apptainer pull docker://ghcr.io/cmelab/grits:latest +apptainer run grits_latest.sif python ``` **Or** using [Docker](https://docs.docker.com/), run: ```bash -docker pull ghcr.io/cmelab/grits:0.4.1 -docker run -it cmelab/grits:0.4.1 +docker pull ghcr.io/cmelab/grits:latest +docker run -it cmelab/grits:latest ``` -#### Custom install +#### Micromamba install To create a local environment with [micromamba](https://mamba.readthedocs.io/en/latest/user_guide/micromamba.html)), run: ```bash -micromamba create -f environment.yml +micromamba create grits -f environment.yml micromamba activate grits ``` -With the `grits` environment active, install the package with pip: -``` -pip install . -``` -And to test your installation, run: -``` -pytest -```