From 9ac56287d526bf99fb3c6de080b7a66a21bae349 Mon Sep 17 00:00:00 2001 From: SY Wang Date: Wed, 24 Jun 2026 15:38:54 +0800 Subject: [PATCH] README.md: Update installation docs and binary paths (#5438) --- README.md | 9 ++++++--- benchmarks/QS_single_node/do_benchmark | 2 +- docs/README.md | 2 +- 3 files changed, 8 insertions(+), 5 deletions(-) diff --git a/README.md b/README.md index bf11e94b18..c8f5f199a1 100644 --- a/README.md +++ b/README.md @@ -37,11 +37,14 @@ help on git, see [Git Tips & Tricks](https://github.com/cp2k/cp2k/wiki/Git-Tips- ## Install CP2K -The easiest way to build CP2K with all of its dependencies is as a -[Docker container](./tools/docker/README.md). +CP2K manual provides installation instructions for below available methods: + +- [Build from Source](https://manual.cp2k.org/trunk/getting-started/build-from-source.html) +- [Build with Spack](https://manual.cp2k.org/trunk/getting-started/build-with-spack.html) +- [Install from Distribution](https://manual.cp2k.org/trunk/getting-started/distributions.html) For building CP2K from scratch, including GPU acceleration for NVIDIA (CUDA), AMD (HIP/ROCm), or -OpenCL devices, see the [installation instructions](./INSTALL.md). +OpenCL devices, also see the [installation instructions](./INSTALL.md). ## Links diff --git a/benchmarks/QS_single_node/do_benchmark b/benchmarks/QS_single_node/do_benchmark index e590c2efe1..6c99e83b2d 100755 --- a/benchmarks/QS_single_node/do_benchmark +++ b/benchmarks/QS_single_node/do_benchmark @@ -9,7 +9,7 @@ postfix="" # used ranks, can be any value, by default the number of physical cores on the node ranks=$(lscpu | awk '/^Core\(s\) per socket:/ {cores=$NF}; /^Socket\(s\):/ {sockets=$NF}; END{print cores*sockets}') # adjust command for testing as needed -command="mpirun -np $ranks ../../../exe/local/cp2k.popt" +command="mpirun -np $ranks ../../../install/bin/cp2k.popt" # iterations used for testing (best value retained for benchmark result) maxiter=3 diff --git a/docs/README.md b/docs/README.md index f1d972a2e2..955da2d69a 100644 --- a/docs/README.md +++ b/docs/README.md @@ -21,7 +21,7 @@ To build a local version of the manual perform the following steps: 1. (optional) Build a CP2K binary and use it to generate the `cp2k_input.xml` file: ``` - ../exe/local/cp2k.psmp --xml + ../install/bin/cp2k.psmp --xml ``` 1. (optional) Generate Markdown pages from the `cp2k_input.xml` file: