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Revert to mpi4py 3.1.6 #235

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merged 10 commits into from
Jul 31, 2024
Merged

Revert to mpi4py 3.1.6 #235

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7bb1682
Test mpi4py 4.0.0
jan-janssen Jul 31, 2024
3af3153
fix environment
jan-janssen Jul 31, 2024
19f14d5
fix openmpi
jan-janssen Jul 31, 2024
0e54db6
Update environment-openmpi.yml
jan-janssen Jul 31, 2024
53731fe
Update test_ase_interface.py
jan-janssen Jul 31, 2024
b92aaa1
Update environment-openmpi.yml
jan-janssen Jul 31, 2024
bc05302
Update environment-mpich.yml
jan-janssen Jul 31, 2024
5f3be84
Update environment-openmpi.yml
jan-janssen Jul 31, 2024
c25e457
Update environment.yml
jan-janssen Jul 31, 2024
979b5a1
Update pyproject.toml
jan-janssen Jul 31, 2024
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4 changes: 2 additions & 2 deletions .ci_support/environment-mpich.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -2,8 +2,8 @@ channels:
- conda-forge
dependencies:
- coverage
- lammps =2024.06.27
- mpich
- lammps =2024.06.27=*_mpi_mpich_*
- mpich =4.2.2
- numpy =1.26.4
- mpi4py =4.0.0
- executorlib =0.0.1
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4 changes: 2 additions & 2 deletions .ci_support/environment-openmpi.yml
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Expand Up @@ -2,8 +2,8 @@ channels:
- conda-forge
dependencies:
- coverage
- lammps =2024.06.27
- openmpi
- lammps =2024.06.27=*_mpi_openmpi_*
- openmpi =4.1.6
- numpy =1.26.4
- mpi4py =4.0.0
- executorlib =0.0.1
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2 changes: 1 addition & 1 deletion tests/test_ase_interface.py
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Expand Up @@ -21,7 +21,7 @@ class TestLammpsASELibrary(unittest.TestCase):
def test_static(self):
lmp = LammpsASELibrary(
working_directory=None,
cores=1,
cores=2,
comm=None,
logger=logging.getLogger("TestStaticLogger"),
log_file=None,
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