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make LAMMPS python module compatible with mpi4py 4.x.x

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This commit is contained in:
Axel Kohlmeyer
2024-08-01 03:45:45 -04:00
parent 18b3f6b4d4
commit 252c8483c3
1 changed files with 3 additions and 3 deletions
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6
python/lammps/core.py
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@ -342,8 +342,8 @@ class lammps(object):
if self.has_mpi_support: if self.has_mpi_support:
try: try:
from mpi4py import __version__ as mpi4py_version from mpi4py import __version__ as mpi4py_version
# tested to work with mpi4py versions 2 and 3 # tested to work with mpi4py versions 2, 3, and 4
self.has_mpi4py = mpi4py_version.split('.')[0] in ['2','3'] self.has_mpi4py = mpi4py_version.split('.')[0] in ['2','3','4']
except ImportError: except ImportError:
# ignore failing import # ignore failing import
pass pass
@ -369,7 +369,7 @@ class lammps(object):
if not self.has_mpi_support: if not self.has_mpi_support:
raise Exception('LAMMPS not compiled with real MPI library') raise Exception('LAMMPS not compiled with real MPI library')
if not self.has_mpi4py: if not self.has_mpi4py:
raise Exception('Python mpi4py version is not 2 or 3') raise Exception('Python mpi4py version is not 2, 3, or 4')
if self.MPI._sizeof(self.MPI.Comm) == sizeof(c_int): if self.MPI._sizeof(self.MPI.Comm) == sizeof(c_int):
MPI_Comm = c_int MPI_Comm = c_int
else: else: