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