{ buildPythonPackage, meson, ninja, pkg-config, tblite, numpy, simple-dftd3, cffi, gfortran, blas, lapack, mctc-lib, mstore, toml-f, multicharge, dftd4, setuptools, }: buildPythonPackage { inherit (tblite) pname version src meta ; nativeBuildInputs = [ tblite meson ninja pkg-config gfortran mctc-lib setuptools ]; buildInputs = [ tblite simple-dftd3 blas lapack mctc-lib mstore toml-f multicharge dftd4 ]; propagatedBuildInputs = [ tblite simple-dftd3 cffi numpy ]; patches = [ # Add multicharge to the meson deps; otherwise we get missing mod_multicharge errors ./0001-fix-multicharge-dep-needed-for-static-compilation.patch ]; format = "other"; pythonImportsCheck = [ "tblite" "tblite.interface" ]; mesonFlags = [ "-Dpython=true" ]; }