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improve changelog
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docs/software/sciapps/cp2k.md

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@@ -19,14 +19,15 @@ transition state optimization using NEB or dimer method. See [CP2K Features] for
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2020
??? note "2025.1"
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* The `[email protected]:v1` uenv has been removed and replaced by `[email protected]:v2`
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* The [DLA-Future] intrgration requires special care by the user and has therefore been moved to a separate `cp2k-dlaf` view
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* There two views available in `[email protected]:v1` are still available, without DLA-Future: `cp2k` and `develop`
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* The `[email protected]:v1` uenv has been removed and replaced by `[email protected]:v2`
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* The [DLA-Future] intrgration required special care by the user; without it, the performance is sub-optimal
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* The DLA-Future integration has been moved to a separate `cp2k-dlaf` view
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* The two views available in `[email protected]:v1` are still available, without DLA-Future: `cp2k` and `develop`
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* Two new views with DLA-Future are available in `[email protected]:v2`: `cp2k-dlaf` and `develop-dlaf`
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* The default BLAS/LAPACK library on [Eiger][ref-cluster-eiger] is now [OpenBLAS] (changed from Intel oneAPI MKL, oneMKL)
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* Performance on some workloads is better and on others is comparable
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* Uniformity across platforms
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* Brings uniformity across platforms
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## Dependencies
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* [COSMA]
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* [Cray MPICH]
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* [DBCSR]
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* [DLA-Future]
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* [DLA-Future] (from `[email protected]` onwards, only in `cp2k-dlaf` view)
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* [dftd4] (from `[email protected]` onwards)
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* [ELPA]
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* [FFTW]
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### DLA-Future
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The `cp2k/2025.1` uenv provides CP2K with [DLA-Future] support enabled.
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The `cp2k/2025.1:v2` uenv provides CP2K with [DLA-Future] support enabled, in the `cp2k-dlaf` view.
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The DLA-Future library is initialized even if you don't [explicitly ask to use it](https://manual.cp2k.org/trunk/technologies/eigensolvers/dlaf.html).
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This can lead to some surprising warnings and failures described below.
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