利用git命令,获取cp2k源代码
暑期特惠:CP2K安装远程指导,220元一次,送教程礼包。
该教程能节约您的时间:6~20小时。依据您的Linux基础而有不同。

git命令获取cp2k源代码,是官方指定的获取方式,方便快捷。当然,需要安装git,建议安装最新版本的git工具。

获取开发版:
git clone --recursive https://github.com/cp2k/cp2k.git cp2k
Cloning into 'cp2k'...
remote: Enumerating objects: 239030, done.
remote: Counting objects: 100% (2248/2248), done.
remote: Compressing objects: 100% (849/849), done.
remote: Total 239030 (delta 1434), reused 2028 (delta 1394), pack-reused 236782
Receiving objects: 100% (239030/239030), 229.02 MiB | 8.07 MiB/s, done.
Resolving deltas: 100% (202424/202424), done.
Updating files: 100% (7158/7158), done.
Submodule 'exts/dbcsr' (https://github.com/cp2k/dbcsr) registered for path 'exts/dbcsr'
Submodule 'tools/prettify/fprettify' (https://github.com/pseewald/fprettify.git) registered for path 'tools/prettify/fprettify'
Cloning into '/root/cp2k/exts/dbcsr'...
remote: Enumerating objects: 839523, done.
remote: Counting objects: 100% (30457/30457), done.
remote: Compressing objects: 100% (627/627), done.
remote: Total 839523 (delta 29953), reused 30282 (delta 29808), pack-reused 809066
Receiving objects: 100% (839523/839523), 434.96 MiB | 3.65 MiB/s, done.
Resolving deltas: 100% (826674/826674), done.
Cloning into '/root/cp2k/tools/prettify/fprettify'...
remote: Enumerating objects: 2048, done.
remote: Counting objects: 100% (177/177), done.
remote: Compressing objects: 100% (102/102), done.
remote: Total 2048 (delta 75), reused 159 (delta 60), pack-reused 1871
Receiving objects: 100% (2048/2048), 1.09 MiB | 5.47 MiB/s, done.
Resolving deltas: 100% (1084/1084), done.
Submodule path 'exts/dbcsr': checked out 'b4ffddaa13f915c8b47b47fc070cfd0d13483c97'
Submodule 'tools/build_utils/fypp' (https://github.com/aradi/fypp.git) registered for path 'exts/dbcsr/tools/build_utils/fypp'
Cloning into '/root/cp2k/exts/dbcsr/tools/build_utils/fypp'...
remote: Enumerating objects: 1620, done.
remote: Counting objects: 100% (156/156), done.
remote: Compressing objects: 100% (52/52), done.
remote: Total 1620 (delta 87), reused 147 (delta 86), pack-reused 1464
Receiving objects: 100% (1620/1620), 427.31 KiB | 1.01 MiB/s, done.
Resolving deltas: 100% (1026/1026), done.
Submodule path 'exts/dbcsr/tools/build_utils/fypp': checked out '724fb01fc95a183ba9b63747abba1176e9f95463'
Submodule path 'tools/prettify/fprettify': checked out '71781aaaa0cd513e0e25093a3b69fbdd778e8409'
获取固定版本
git clone -b support/vx.y --recursive https://github.com/cp2k/cp2k.git cp2k-vx.y
例如:需要下载9.1的版本,将上方的“x.y”替换为“9.1”,若是需要2022.1版本,就将上方的“x.y”替换为“2022.1”
这里,将给出 2023.1版本的下载例子
git clone -b support/v2023.1 --recursive https://github.com/cp2k/cp2k.git cp2k-v2023.1
Cloning into 'cp2k-v2023.1'...
remote: Enumerating objects: 239030, done.
remote: Counting objects: 100% (2248/2248), done.
remote: Compressing objects: 100% (849/849), done.
remote: Total 239030 (delta 1434), reused 2028 (delta 1394), pack-reused 236782
Receiving objects: 100% (239030/239030), 229.02 MiB | 5.66 MiB/s, done.
Resolving deltas: 100% (202424/202424), done.
Updating files: 100% (6933/6933), done.
Submodule 'exts/dbcsr' (https://github.com/cp2k/dbcsr) registered for path 'exts/dbcsr'
Submodule 'tools/prettify/fprettify' (https://github.com/pseewald/fprettify.git) registered for path 'tools/prettify/fprettify'
Cloning into '/root/cp2k-v2023.1/exts/dbcsr'...
remote: Enumerating objects: 839523, done.
remote: Counting objects: 100% (30457/30457), done.
remote: Compressing objects: 100% (626/626), done.
remote: Total 839523 (delta 29954), reused 30282 (delta 29809), pack-reused 809066
Receiving objects: 100% (839523/839523), 434.99 MiB | 4.55 MiB/s, done.
Resolving deltas: 100% (826673/826673), done.
Cloning into '/root/cp2k-v2023.1/tools/prettify/fprettify'...
remote: Enumerating objects: 2048, done.
remote: Counting objects: 100% (177/177), done.
remote: Compressing objects: 100% (102/102), done.
remote: Total 2048 (delta 75), reused 158 (delta 60), pack-reused 1871
Receiving objects: 100% (2048/2048), 1.09 MiB | 1.15 MiB/s, done.
Resolving deltas: 100% (1084/1084), done.
Submodule path 'exts/dbcsr': checked out '2d009cd8d81470bbb64f0687765bcb4eb9189a8f'
Submodule 'tools/build_utils/fypp' (https://github.com/aradi/fypp.git) registered for path 'exts/dbcsr/tools/build_utils/fypp'
Cloning into '/root/cp2k-v2023.1/exts/dbcsr/tools/build_utils/fypp'...
remote: Enumerating objects: 1620, done.
remote: Counting objects: 100% (156/156), done.
remote: Compressing objects: 100% (52/52), done.
remote: Total 1620 (delta 87), reused 147 (delta 86), pack-reused 1464
Receiving objects: 100% (1620/1620), 427.31 KiB | 919.00 KiB/s, done.
Resolving deltas: 100% (1026/1026), done.
Submodule path 'exts/dbcsr/tools/build_utils/fypp': checked out '724fb01fc95a183ba9b63747abba1176e9f95463'
Submodule path 'tools/prettify/fprettify': checked out '71781aaaa0cd513e0e25093a3b69fbdd778e8409'
开发版本,日常更新比较频繁,功能有新增,运行时候,会不会碰上bug,看运气,也看个人用途。
固定版本,代码固定,没有日常更新。
推荐使用最近两年推出的版本,运行都很稳定,速度也比 8.1,7.1 快不少。