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https://github.com/cometscome/openmx_docker


https://github.com/cometscome/openmx_docker

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README

        

# What is this?
This is Dockerfile for installing OpenMX with Intel OneAPI.

To build, just do

```bash
docker build --shm-size=2gb -t openmx .
```

After building it, just do

```bash
docker run --shm-size=2gb --name oneopenmx -it openmx /bin/bash
```