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dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method
GNU Lesser General Public License v3.0
25 stars 19 forks source link

Migrate sktool's setup.cfg to pyproject.toml #97

Open vanderhe opened 4 weeks ago

vanderhe commented 3 weeks ago

@bhourahine Switched to Python >=3.10.

samtsevich commented 2 weeks ago

@vanderhe What do you think about installing the package via just pip install .[skprogs] which compiles all necessary binaries from the Fortran files inside the procedure? I guess, a good example of this is numpy.

vanderhe commented 2 weeks ago

@vanderhe What do you think about installing the package via just pip install .[skprogs] which compiles all necessary binaries from the Fortran files inside the procedure? I guess, a good example of this is numpy.

@samtsevich We decided to package most of our projects via conda-forge, instead of e.g. PyPI or on-the-fly compilation using the pip mechanism, so I don't think there are any ambitions to support another type of installation.