要在Ubuntu上安装GROMACS,你可以按照以下步骤操作: 打开Ubuntu终端: 打开你的Ubuntu终端,准备执行安装命令。 更新软件包列表: 在终端中输入以下命令来更新你的软件包列表: bash sudo apt update 安装GROMACS所需的依赖包: GROMACS需要一些依赖包来正常编译和运行。你可以通过以下命令来安装它们: bash sudo apt ...
Note: I had originally used the base Spack image tagged ubuntu/jammy:latest. It turned out that “latest” was the 0.20.0.dev0 branch that had been push just a couple of hours before I did this build. (it is being actively developed!) I edited the Dockerfile to us ...