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Move all format directories (abacus, amber, cp2k, deepmd, dftbplus, fhi_aims, gaussian, gromacs, lammps, lmdb, md, openmx, orca, psi4, pwmat, pymatgen, qe, rdkit, siesta, vasp, xyz) into a new formats/ subdirectory. This addresses issue deepmodeling#934. Changes: - Created dpdata/formats/ directory - Moved all format directories to dpdata/formats/ - Updated all import statements throughout the codebase - Updated relative imports in format modules (from .. to from ...) - Updated dpdata/__init__.py to import from new locations - Updated tests/context.py for new import paths The plugins directory remains at the root level as requested.
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This PR reorganizes the directory structure by moving all format directories into a
formats/subdirectory.Changes
dpdata/formats/directorydpdata/formats/:..tofrom ...)dpdata/__init__.pyto import from new locationsNotes
pluginsdirectory remains at the root level as requestedCloses deepmodeling#934