Commit 589a766f authored by nd-02110114's avatar nd-02110114
Browse files

📝 update docs

parent c98f36df
Loading
Loading
Loading
Loading
+13 −12
Original line number Diff line number Diff line
@@ -141,38 +141,39 @@ Check [this link](https://conda.io/projects/conda/en/latest/user-guide/install/i

### Install using a Docker (WIP)

If you want to install using a docker, you can pull two images.
If you want to install using a docker, you can pull two kinds of images.  
DockerHub : https://hub.docker.com/repository/docker/deepchemio/deepchem

- `deepchemio/deepchem:x.x.x`
  - Image built by using a conda package manager (x.x.x is a version of deepchem)
  - Dockerfile is put in `docker/x.x.x` directory of this repository
  - [Docker Hub](https://hub.docker.com/repository/docker/deepchemio/deepchem)
- `deepchemio/deepchem-master`
  - The x.x.x image is built when we push x.x.x. tag
  - Dockerfile is put in `docker/conda-forge` directory of this repository
- `deepchemio/deepchem:latest`
  - Image built by the master branch of deepchem source codes
  - The latest image is built every time we commit to the master branch
  - Dockerfile is put in `docker/master` directory of this repository
  - [Docker Hub](https://hub.docker.com/repository/docker/deepchemio/deepchem-master)

First, you pull the latest stable deepchem docker image.
First, you pull the image you want to use.

```bash
docker pull deepchemio/deepchem
docker pull deepchemio/deepchem:2.3.0
```

Then, you create a container based on our latest image.
Then, you create a container based on the image.

```bash
docker run -it deepchemio/deepchem
docker run -it deepchemio/deepchem:2.3.0
```

If you want GPU support:

```bash
# If nvidia-docker is installed
nvidia-docker run -it deepchemio/deepchem
docker run --runtime nvidia -it deepchemio/deepchem
nvidia-docker run -it deepchemio/deepchem:2.3.0
docker run --runtime nvidia -it deepchemio/deepchem:2.3.0

# If nvidia-container-toolkit is installed
docker run --gpus all -it deepchemio/deepchem
docker run --gpus all -it deepchemio/deepchem:2.3.0
```

You are now in a docker container whose python has deepchem installed.
+1 −1
Original line number Diff line number Diff line
@@ -19,7 +19,7 @@ RUN conda update -n base conda && \
    . /miniconda/etc/profile.d/conda.sh && \
    conda activate deepchem && \
    pip install tensorflow-gpu==1.14 && \
    conda install -c rdkit -c conda-forge rdkit deepchem==2.3.0 && \
    conda install -c rdkit -c conda-forge rdkit deepchem && \
    conda clean -afy && \
    rm -rf ~/.cache/pip