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Experimental version of conda-forge/linux-anvil to build openmm

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Omnia Linux Anvil

This repo houses the Dockerfiles that extend the Conda Forge Linux Anvil to support packages in Omnia. The extended linux anvil includes header files for GPU support from AMD and Nvidia for compute-based calculations and TeX packages for doc building.

Image Features and Extensions

  • TeXLive 2017
  • AMD APP SDK 3.0
  • CUDA 7.5 through 10.1

Building the Image

This repository is monitored by Docker Hub and every branch is automatically built and compiled to be accessed as a Docker container.

Builds can be found here

Accessing and this Image

The compiled images will be available to pull from Docker Hub. The image can be accessed with the following command:

docker pull omnia/omnia-linux-anvil:condaforge-texlive18-cuda75to100

An example of a this docker image in action can be found on the Omnia MD Conda recipes channel.

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Experimental version of conda-forge/linux-anvil to build openmm

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