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Add openPMD output

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Franz Pöschel 2026-01-06 12:57:32 +01:00 • committed by GitHub
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@ -229,6 +229,18 @@ greenX - Open-source file format and library. Support for greenX can be enabled
- For more information see <https://github.com/tblite/tblite>
- Pass `-DCP2K_USE_TBLITE=ON` to CMake.
## openPMD (structured output)
openPMD - Open-source data standard and library. Support for openPMD can be enabled in CMake via
`-DCP2K_USE_OPENPMD=ON`. CMake is the only supported way of enabling openPMD, use of `-D__OPENPMD`
as part of DFLAGS may or may not work.
- openPMD-api may be downloaded from <https://github.com/openPMD/openPMD-api/>, a equal to or
greater than 0.16.1 is required.
- For more information see <https://openpmd-api.readthedocs.io>.
- The version of openPMD-api, determined by OPENPMDAPI_VERSION_GE, must be 0.16.1 or greater.
- openPMD-api must be built against MPI, determined by openPMD_HAVE_MPI.
## HDF5
- Pass `-DCP2K_USE_HDF5=ON` to CMake to enable HDF5 support.