Looking for (co-)maintainers - Githubissues

dftd3 / simple-dftd3

reimplementation of the DFT-D3 program

https://dftd3.readthedocs.io

GNU Lesser General Public License v3.0

48 stars 20 forks source link

Looking for (co-)maintainers #23

Open awvwgk opened 2 years ago

awvwgk commented 2 years ago

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