Merge pull request #153 from pyiron/dependabot/pip/pympipool-0.7.2

Bump pympipool from 0.7.1 to 0.7.2

.ci_support/environment-mpich.yml

@@ -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

.ci_support/environment-openmpi.yml

@@ -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

.github/workflows/unittests-mpich.yml

@@ -29,9 +29,8 @@ jobs:
         environment-file: .ci_support/environment-mpich.yml
     - name: Setup
       shell: bash -l {0}
-      run: |
-        pip install --no-deps .
+      run: pip install --no-deps .
     - name: Test
       shell: bash -l {0}
       timeout-minutes: 5
-      run: coverage run --omit pylammpsmpi/_version.py -m unittest discover tests
+      run: python -m unittest discover tests

.github/workflows/unittests-openmpi.yml

@@ -29,9 +29,8 @@ jobs:
         environment-file: .ci_support/environment-openmpi.yml
     - name: Setup
       shell: bash -l {0}
-      run: |
-        pip install --no-deps .
+      run: pip install --no-deps .
     - name: Test
       shell: bash -l {0}
       timeout-minutes: 5
-      run: coverage run --omit pylammpsmpi/_version.py -m unittest discover tests
+      run: python -m unittest discover tests

pylammpsmpi/wrapper/concurrent.py

@@ -43,8 +43,6 @@ def execute_async(
         connections=MpiExecInterface(
             cwd=cwd,
             cores=cores,
-            threads_per_core=1,
-            gpus_per_core=0,
             oversubscribe=oversubscribe,
         ),
     )

setup.py

@@ -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"],