unfinish

Dockerfile.4.pyautofep

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+# 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