Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
fix: numpy version <1.24 to fix the following error from pymatgen
File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/custodian/vasp/handlers.py", line 22, in <module> from pymatgen.io.vasp import Poscar, VaspInput, Incar, Kpoints, Vasprun, \ File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/pymatgen/__init__.py", line 54, in <module> from .ext.matproj import MPRester File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/pymatgen/ext/matproj.py", line 33, in <module> from pymatgen.core.surface import get_symmetrically_equivalent_miller_indices File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/pymatgen/core/surface.py", line 31, in <module> from scipy.spatial.distance import squareform File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/scipy/spatial/__init__.py", line 99, in <module> from .kdtree import * File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/scipy/spatial/kdtree.py", line 8, in <module> import scipy.sparse File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/scipy/sparse/__init__.py", line 229, in <module> from .base import * File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/scipy/sparse/base.py", line 8, in <module> from .sputils import (isdense, isscalarlike, isintlike, File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/scipy/sparse/sputils.py", line 16, in <module> supported_dtypes = [np.typeDict[x] for x in supported_dtypes] File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/scipy/sparse/sputils.py", line 16, in <listcomp> supported_dtypes = [np.typeDict[x] for x in supported_dtypes] File "/export/compute/software/rupy-env-2022.12.15/lib/python3.8/site-packages/numpy/__init__.py", line 284, in __getattr__ raise AttributeError("module {!r} has no attribute " AttributeError: module 'numpy' has no attribute 'typeDict' [user-o17l4s6nzm@master-sof-20210527-cluster-001 espresso-band-structure-purge-Gic8JcJugEXBac6BW]$ source /export/compute/software/rupy-env-2022.12.15/bin/activate (rupy-env-2022.12.15) [user-o17l4s6nzm@master-sof-20210527-cluster-001 espresso-band-structure-purge-Gic8JcJugEXBac6BW]$ pip list
- Loading branch information