From 41c87db6dc70378ed48cc0bc2a31735e89cb491f Mon Sep 17 00:00:00 2001 From: dpasserone <45152275+dpasserone@users.noreply.github.com> Date: Mon, 19 Feb 2024 13:24:46 +0100 Subject: [PATCH] Added MOLECULE and REAXFF to lammps (#17) Co-authored-by: psd --- Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Dockerfile b/Dockerfile index a4bcf3d..4f1503d 100644 --- a/Dockerfile +++ b/Dockerfile @@ -8,7 +8,7 @@ USER ${NB_USER} RUN mkdir /home/${NB_USER}/opt -RUN cd /home/${NB_USER}/opt && git clone https://github.com/lammps/lammps && cd lammps/src && make lib-pace args="-b" && make yes-ml-pace && make yes-manybody && make lib-voronoi args="-b" && make yes-voronoi && make serial +RUN cd /home/${NB_USER}/opt && git clone https://github.com/lammps/lammps && cd lammps/src && make lib-pace args="-b" && make yes-molecule && make yes-reaxff && make yes-rigid && make yes-ml-pace && make yes-manybody && make lib-voronoi args="-b" && make yes-voronoi && make serial USER root