Adding DFTD3 after compile


When I first compile, I didn’t include the DFTD3 package. I then installed the package via conda. However when I try to run with DFTD3, I still get the error that it cannot be found. Is there a way to include/register the newly installed DFTD3 package (or any other package) without recompile?

If it’s the d3 tests that aren’t registering, the thing to do is add a blank line to tests/CMakeLists.txt, make sure which dftd3 returns what you expect, the remake in objdir. Nominally, it’s a recompile, but it’ll only take a second to let CMake know dftd3 is available and to add in those tests. We’ll be switching to a runtime detection soon for those addons that don’t need to be activated at compile-time.