version 7.4.2 #809
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version 7.4.2 #809
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Switch to latest elpa-2022.11.001.rc2
No change in the code logic, just renaming namespace and classes.
Move MPI-related code to mpi:: namespace and refactor. No change in code logic.
* all docker files are stored in ./dockerfile folder * remove unused files * added base container for OpenMPI + gcc-12 * fixed interface to OpenMPI (roll back from `static constexp auto kind = ..` to `static auto kind()`)
use `operator MPI_Datatype() const noexcept construct` to avoid ::kind() static member function
* update numpy types * python api: uncomment wrapper for mdarray<double,2>
Move FFT related code to fft:: namespace. No change in code logic.
toxa81
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toxa81
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toxa81
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mtaillefumier
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mtaillefumier
* move BLACS_grid, dmatrix, Eigensolver under the la:: namespace * linalg_cost<T> is renamed to constant<T> * linalg_t is renamed to lib_t * linalg class is renamed to wrap For example, now the call to gemm() wrapper looks the following: la::wrap(la::lib_t::blas).gemm(...) The code logic is unchanged.
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Master_tmp is develop merged to master with resolved conflicts.