diff --git a/nix/pysisyphus.nix b/nix/pysisyphus.nix index 7206a1f52..72b50f7ff 100644 --- a/nix/pysisyphus.nix +++ b/nix/pysisyphus.nix @@ -193,6 +193,7 @@ buildPythonPackage rec { "test_ci_opt[RFOptimizer-opt_kwargs1--78.2487951]" # Broken as of PySCF >= 2.3 as a DFT functional definition was changed "test_composite_oniom[lib:subst_effect/toluene_minus_H_b3lypG_631g.xyz-2-high_inds1--270.824806805671]" # Slight numerical deviations "test_spectrum_ctnum" + "test_constrain_h2o_ofix" ]; in [