LillyMol

LillyMol Public Code

This repository is a compiled version in centos 7 with gcc-8 g++-8 gfortran-8

If you are currently working on centos:7 maybe you can run it without docker. But you need to install the dependencies in the Dockerfile.

You can build docker image with Dockerfile for other systems.

Docker Usage

Just build with command docker build --rm -t lillymol .

Run the container with command docker run -it --rm -w /app/test/ lillymol ./run_all_test.sh to test the installation.