23 lines
493 B
Docker
23 lines
493 B
Docker
# syntax=docker/dockerfile:1.3-labs
|
|
# NOTE: Building this image requires Docker version >= 23.0.
|
|
|
|
# Stage 1: Build environment
|
|
ARG TAG_VERSION
|
|
ARG BASE
|
|
FROM ${BASE}:${TAG_VERSION} AS build-env
|
|
|
|
# Install PyAutoFEP
|
|
RUN <<EOT
|
|
#!/bin/bash
|
|
git clone https://github.com/luancarvalhomartins/PyAutoFEP.git
|
|
EOT
|
|
|
|
# Install AmberTools and Amber
|
|
COPY file/Amber24.tar.bz2 file/AmberTools24.tar.bz2 /root
|
|
RUN <<EOT
|
|
#!/bin/bash
|
|
tar -xjvf Amber24.tar.bz2
|
|
tar -xjvf AmberTools24.tar.bz2
|
|
EOT
|
|
|
|
# install mmgbsa |