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Update usage doc and version for make_cp2k.sh (#5543)

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Matthias Krack 2026-07-08 11:06:37 +02:00 • committed by GitHub
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7
docs/getting-started/build-from-source.md
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@ -110,7 +110,7 @@ Use `./make_cp2k.sh --help` to display the complete list of options:
<details>
<summary>Click to see all options (version 1.9)</summary>
<summary>Click to see all options (version 2.0)</summary>
```
Usage: make_cp2k.sh [-bd | --build_deps]
@ -152,6 +152,7 @@ Flags:
-j : Maximum number of processes used in parallel
--mpi_mode : Set preferred MPI mode (default: "mpich")
--num_packages : Maximum number of packages built by spack in parallel (default: 4)
-opencl : Perform build with OpenCL support
--rebuild_cp2k : Rebuild CP2K: removes the build folder (default: no)
--test : Perform a regression test run after a successful build
--use_cache : Use a "folder", a "MinIO" object storage container (requires podman) or "no" cache
@ -170,8 +171,8 @@ Hints:
- The folder ${CP2K_ROOT}/install is updated after each successful run
Packages: all | ace | cosma | deepmd | dftd4 | dlaf | elpa | fftw3 | gauxc | greenx | hdf5 | libfci |
libint | libsmeagol | libtorch | libvdwxc | libxs | mimic | openpmd | pexsi | plumed |
sirius | spfft | spglib | spla | tblite | trexio | vori
libgint | libint | libsmeagol | libtorch | libvdwxc | libxs | mimic | openpmd | pexsi | plumed |
sirius | spfft | spglib | spla | tblite | trexio | vori
Features: cray_pm_accel_energy | cusolver_mp | dbm_gpu | elpa_gpu | grid_gpu | pw_gpu |
spla_gemm_offloading | unified_memory

2
make_cp2k.sh
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@ -663,7 +663,7 @@ if [[ "${HELP}" == "yes" ]]; then
echo " [-mpi | --mpi_mode (mpich | no | openmpi)]"
echo " [-np | --num_packages #PACKAGES]"
echo " [-rc | --rebuild_cp2k]"
echo " [-t | -test \"TESTOPTS\"]"
echo " [-t | --test \"TESTOPTS\"]"
echo " [-uc | --use_cache (folder | minio | no | none)]"
echo " [-ue | --use_externals]"
echo " [-v | --verbose]"