diff --git a/package/MDAnalysis/analysis/msd.py b/package/MDAnalysis/analysis/msd.py index 4515ed4098..75c7832c16 100644 --- a/package/MDAnalysis/analysis/msd.py +++ b/package/MDAnalysis/analysis/msd.py @@ -392,19 +392,7 @@ def _conclude_fft(self): # with FFT, np.float64 bit prescision required. r""" Calculates the MSD via the FCA fast correlation algorithm. """ - try: - import tidynamics - except ImportError: - raise ImportError("""ERROR --- tidynamics was not found! - - tidynamics is required to compute an FFT based MSD (default) - - try installing it using pip eg: - - pip install tidynamics - - or set fft=False""") - + import tidynamics positions = self._position_array.astype(np.float64) for n in tqdm(range(self.n_particles)): self.results.msds_by_particle[:, n] = tidynamics.msd( diff --git a/package/requirements.txt b/package/requirements.txt index accac1b49f..341c720ee3 100644 --- a/package/requirements.txt +++ b/package/requirements.txt @@ -22,3 +22,4 @@ mdanalysis_sphinx_theme >=1.0.1 sphinx_sitemap threadpoolctl tqdm +tidynamics