From 66befe4c161c9f05ef9dc6eaaa4ac02af2cd5bf2 Mon Sep 17 00:00:00 2001 From: he-zilong <159878975+he-zilong@users.noreply.github.com> Date: Tue, 17 Feb 2026 17:25:20 +0800 Subject: [PATCH] Toolchain: remove some legacy mentions --- INSTALL.md | 8 ++++++-- tools/toolchain/README.md | 8 -------- tools/toolchain/install_cp2k_toolchain.sh | 1 - 3 files changed, 6 insertions(+), 11 deletions(-) diff --git a/INSTALL.md b/INSTALL.md index 701852e145..4cfb6ab045 100644 --- a/INSTALL.md +++ b/INSTALL.md @@ -10,6 +10,8 @@ For more details on downloading CP2K, see . ## 2. Install prerequisites +### Method 1: Spack + The easiest way to build CP2K with all its dependencies is via the `make_cp2k.sh` script, which builds CP2K using Spack and CMake locally within the CP2K_ROOT folder. @@ -28,6 +30,8 @@ or run in a subshell with: Note: it is recommended to install podman to take advantage of a spack cache. This will accelerate the build of the CP2K dependencies with Spack significantly. +### Method 2: Toolchain + Alternatively, the [toolchain script](./tools/toolchain/install_cp2k_toolchain.sh) can also be run directly. @@ -50,14 +54,14 @@ a range of devices). If you wish to build with GPU support, please see the ```shell ./install_cp2k_toolchain.sh --with-libxsmm=install --with-openblas=system \ - --with-fftw=system --with-reflapack=no --enable-cuda + --with-fftw=system --enable-cuda ``` - For AMD/ROCm/HIP support, use: ```shell ./install_cp2k_toolchain.sh --with-libxsmm=install --with-openblas=system \ - --with-fftw=system --with-reflapack=no --enable-hip + --with-fftw=system --enable-hip ``` ## 3. Compile diff --git a/tools/toolchain/README.md b/tools/toolchain/README.md index d88afe8890..1499201ec3 100644 --- a/tools/toolchain/README.md +++ b/tools/toolchain/README.md @@ -114,7 +114,6 @@ proprietary software packages, like e.g. MKL, these have to be installed separat | openblas | [BSD 3-Clause](https://github.com/xianyi/OpenBLAS/blob/develop/LICENSE) | Yes | | openmpi | [BSD 3-Clause](https://github.com/open-mpi/ompi/blob/master/LICENSE) | Yes | | plumed | [LGPL](https://github.com/plumed/plumed2/blob/master/COPYING.LESSER) | Yes | -| reflapack | [BSD 3-Clause](http://www.netlib.org/lapack/LICENSE.txt) | Yes | | scalapack | [BSD 3-Clause](http://www.netlib.org/scalapack/LICENSE) | Yes | | sirius | [BSD 2-Clause](https://github.com/electronic-structure/SIRIUS/blob/master/LICENSE) | Yes | | spfft | [BSD 3-Clause](https://github.com/eth-cscs/SpFFT/blob/master/LICENSE) | Yes | @@ -153,13 +152,6 @@ proprietary software packages, like e.g. MKL, these have to be installed separat Nested structures will be parsed correctly. See [`IF_XYZ` constructs](./README_FOR_DEVELOPERS.md#the-if_xyz-constructs) below. -- `checksums.sha256` contains the pre-calculated SHA256 checksums for the tar balls of all of the - packages. This is used by the `download_pkg` macro in `script/toolkit.sh`. - -- `arch_base.tmpl` contains the template skeleton structure for the arch files. The - `install_cp2k_toolchain` script will set all the variables used in the template file, and then do - an eval to expand all of `${VARIABLE}` items in `arch_base.tmpl` to give the cp2k arch files. - ### `enable-FEATURE` options The `enable-FEATURE` options control whether a FEATURE is enabled or disabled. Possible values are: diff --git a/tools/toolchain/install_cp2k_toolchain.sh b/tools/toolchain/install_cp2k_toolchain.sh index 456354cb42..89e0e8dc9e 100755 --- a/tools/toolchain/install_cp2k_toolchain.sh +++ b/tools/toolchain/install_cp2k_toolchain.sh @@ -32,7 +32,6 @@ export SCRIPTDIR="${ROOTDIR}/scripts" export BUILDDIR="${ROOTDIR}/build" export INSTALLDIR="${ROOTDIR}/install" export SETUPFILE="${INSTALLDIR}/setup" -export SHA256_CHECKSUM="${SCRIPTDIR}/checksums.sha256" # ------------------------------------------------------------------------ # Make a copy of all options for $SETUPFILE