Looking for (co-)maintainers

[awvwgk]

This DFT-D3 reimplementation has become somewhat stable now. Going forward I'm looking for contributors and maintainers to ensure the project remains healthy and available for the computational chemistry community.

Current status

• fpm, meson and CMake build system support
• compatible with GCC >=5, Intel >=18, NAG >=7
• C and Python bindings
• integrated with DFTB+, tblite, DFT-FE, QCEngine, Siesta, Psi4, Curcuma, Caracal

Dependencies

• grimme-lab/mctc-lib
  • jacobwilliams/json-fortran (optional)
• grimme-lab/mstore (testing)

Project assets

• readthedocs: https://dftd3.readthedocs.io
• gh-pages: https://dftd3.github.io/simple-dftd3
• conda-forge feedstocks:
  • https://github.com/conda-forge/simple-dftd3-feedstock
  • https://github.com/conda-forge/dftd3-python-feedstock
• PyPI project: https://pypi.org/project/dftd3
• spack package: https://github.com/spack/spack/tree/develop/var/spack/repos/builtin/packages/simple-dftd3