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Update pympipool to 0.7.2 #152

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Update pympipool to 0.7.2 #152

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2a1c9cc
Update environment-mpich.yml
jan-janssen Nov 2, 2023
248f0e4
Update environment-openmpi.yml
jan-janssen Nov 2, 2023
a5203a9
Update setup.py
jan-janssen Nov 2, 2023
69aad4f
Update unittests-mpich.yml
jan-janssen Nov 6, 2023
81612af
Update unittests-openmpi.yml
jan-janssen Nov 6, 2023
9ea1cbd
Update coverage.yml
jan-janssen Nov 6, 2023
a3d6c67
Update unittests-mpich.yml
jan-janssen Nov 6, 2023
ab9f12f
Update unittests-openmpi.yml
jan-janssen Nov 6, 2023
82861f6
Update concurrent.py
jan-janssen Nov 6, 2023
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2 changes: 1 addition & 1 deletion .ci_support/environment-mpich.yml
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Expand Up @@ -6,6 +6,6 @@ dependencies:
- mpich
- numpy =1.26.0
- mpi4py =3.1.5
- pympipool =0.7.1
- pympipool =0.7.2
- ase =3.22.1
- scipy =1.11.3
2 changes: 1 addition & 1 deletion .ci_support/environment-openmpi.yml
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Expand Up @@ -6,6 +6,6 @@ dependencies:
- openmpi
- numpy =1.26.0
- mpi4py =3.1.5
- pympipool =0.7.1
- pympipool =0.7.2
- ase =3.22.1
- scipy =1.11.3
3 changes: 2 additions & 1 deletion .github/workflows/coverage.yml
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Expand Up @@ -30,7 +30,8 @@ jobs:
- name: Test
shell: bash -l {0}
run: |
coverage run --omit pylammpsmpi/_version.py -m unittest discover tests
cd tests
coverage run --omit pylammpsmpi/_version.py -m unittest discover .
coverage combine
- name: Coveralls
uses: coverallsapp/github-action@v2
2 changes: 1 addition & 1 deletion .github/workflows/unittests-mpich.yml
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Expand Up @@ -34,4 +34,4 @@ jobs:
- name: Test
shell: bash -l {0}
timeout-minutes: 5
run: coverage run --omit pylammpsmpi/_version.py -m unittest discover tests
run: cd tests; python -m unittest discover .
2 changes: 1 addition & 1 deletion .github/workflows/unittests-openmpi.yml
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Expand Up @@ -34,4 +34,4 @@ jobs:
- name: Test
shell: bash -l {0}
timeout-minutes: 5
run: coverage run --omit pylammpsmpi/_version.py -m unittest discover tests
run: cd tests; python -m unittest discover .
2 changes: 0 additions & 2 deletions pylammpsmpi/wrapper/concurrent.py
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Expand Up @@ -43,8 +43,6 @@ def execute_async(
connections=MpiExecInterface(
cwd=cwd,
cores=cores,
threads_per_core=1,
gpus_per_core=0,
oversubscribe=oversubscribe,
),
)
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -27,7 +27,7 @@
keywords='lammps, mpi4py',
packages=find_packages(exclude=["*tests*"]),
install_requires=[
"mpi4py==3.1.5", "pympipool==0.7.1", "numpy==1.26.0"
"mpi4py==3.1.5", "pympipool==0.7.2", "numpy==1.26.0"
],
extras_require={
"ase": ["ase==3.22.1", "scipy==1.11.3"],
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