Import optimisation (#287)

* Moved long Xdatcar import to  to HistFile read/write class methods to improve general loading times

* Moved long imports from pymatgen into their read/write class methods to improve general loading times

abipy/dynamics/hist.py

@@ -14,7 +14,6 @@
 from monty.string import marquee, list_strings
 from pymatgen.core.periodic_table import Element
 from pymatgen.analysis.structure_analyzer import RelaxationAnalyzer
-from pymatgen.io.vasp.outputs import Xdatcar
 from abipy.tools.plotting import add_fig_kwargs, get_ax_fig_plt, get_axarray_fig_plt, set_visible, get_figs_plotly, \
     get_fig_plotly, add_plotly_fig_kwargs, plotlyfigs_to_browser, push_to_chart_studio, PlotlyRowColDesc, plotly_set_lims, \
     latex_greek_2unicode
@@ -180,6 +179,8 @@ def to_xdatcar(self, filepath=None, groupby_type=True, to_unit_cell=False, **kwa
             to_unit_cell (bool): Whether to translate sites into the unit cell.
             kwargs: keywords arguments passed to Xdatcar constructor.
         """
+        from pymatgen.io.vasp.outputs import Xdatcar
+
         filepath = self.write_xdatcar(filepath=filepath, groupby_type=groupby_type,
                                       to_unit_cell=to_unit_cell, overwrite=True)
 
@@ -201,6 +202,9 @@ def write_xdatcar(self, filepath="XDATCAR", groupby_type=True, overwrite=False,
         Return:
             path to Xdatcar file.
         """
+        # This library takes 13s to import on HPC (07/02/24) so moved to class method instead of header
+        from pymatgen.io.vasp.outputs import Xdatcar
+
         if filepath is not None and os.path.exists(filepath) and not overwrite:
             raise RuntimeError("Cannot overwrite pre-existing file `%s`" % filepath)
 

abipy/electrons/lobster.py

@@ -15,8 +15,6 @@
 from monty.functools import lazy_property
 from pymatgen.core.periodic_table import Element
 from pymatgen.electronic_structure.core import OrbitalType
-from pymatgen.io.vasp.outputs import Vasprun
-from pymatgen.io.vasp.inputs import Potcar
 from pymatgen.io.abinit.pseudos import Pseudo
 from abipy.core.func1d import Function1D
 from abipy.core.mixins import BaseFile, NotebookWriter
@@ -1166,6 +1164,10 @@ def from_dir(cls, dirpath, dE=0.01, **kwargs):
         Returns:
             A LobsterInput.
         """
+        # These two libraries take a long time to import on HPC (07/02/24) so moved to method instead of header
+        from pymatgen.io.vasp.outputs import Vasprun
+        from pymatgen.io.vasp.inputs import Potcar
+
         # Try to determine the code used for the calculation
         dft_code = None
         if os.path.isfile(os.path.join(dirpath, 'vasprun.xml')):