Weekly Progress of DeePMD-kit 20221114

[HuangJiameng]

What's new

• build_tf.py: mirror fixes #2057
• export C library to cmake config #2059
• docs: document lammps keyword relative_v, aparam, and ttm #2060
• add get cutoff, numb_types, and type_map to C API #2061
• build_tf.py: roll back TF version to 2.9 #2065
• the se-2 descriptor is multi-body #2069
• fix type hints errors #2070
• build, package, and release C library #2072
• improve building wheel workflow #2074
• skip checking _GLIBCXX_USE_CXX11_ABI on windows or osx  #2075
• docs: fix HDF5 path #2076
• add a header-only C++ DeepPot class based on C library #2079
• dynamically load CUDA runtime library #2082
• store TF version in the wheel's extras_require #2084
• fix win64 builds and add win64 wheels #2085
• enable CUDA for linux-64 wheels #2087
• add macos-64 wheels #2088

Issue

• DP2.1.5_lmp can not recongize pair_style in lammps input file #2071
• [Feature Request] Release C library binary #2058
• Cannot use hdf5 dataset as described in document #2045

Discussion

• [LAMMPS] DPLR potential can't give the outputs after the initial step was conducted. HELP!!! #2044
• When I install the offline mode, I can't find the virtual environment #2073
• Constant potential chemistry with DP for the full battery Capacitors? #2080
• How to set environment variables such as "OMP_NUM_THREADS","TF_INTRA_OP_PARALLELISM_THREADS" #2078
• difference between angular and radial feature in the descriptor #2067