Commit 9f622b73 authored by Phillip Seeber's avatar Phillip Seeber
Browse files

python3Packages.simple-dftd3: fix installation of parameter file

parent 34d43f04
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+11 −0
Original line number Diff line number Diff line
{
  buildPythonPackage,
  python,
  simple-dftd3,
  cffi,
  numpy,
@@ -44,4 +45,14 @@ buildPythonPackage {
  preCheck = ''
    find . -name "_libdftd3*" -exec cp {} ./dftd3/. \;
  '';

  pythonImportsCheck = [ "dftd3" ];
  doCheck = true;

  # Parameters need to be present in the python site packages directory, but they
  # are originally only present in the fortran package. This is a consequence of
  # building the python bindings separately from the fortran library.
  postInstall = ''
    ln -s ${simple-dftd3}/share/s-dftd3/parameters.toml $out/${python.sitePackages}/dftd3/.
  '';
}