Bump mpi4py from 4.0.1 to 4.1.0 (#690)

* Bump mpi4py from 4.0.1 to 4.1.0

Bumps [mpi4py](https://github.com/mpi4py/mpi4py) from 4.0.1 to 4.1.0.
- [Release notes](https://github.com/mpi4py/mpi4py/releases)
- [Changelog](https://github.com/mpi4py/mpi4py/blob/master/CHANGES.rst)
- [Commits](mpi4py/mpi4py@4.0.1...4.1.0)

---
updated-dependencies:
- dependency-name: mpi4py
  dependency-version: 4.1.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* [dependabot skip] Update environment

* Update pipeline.yml

* Update environment-integration.yml

* Update environment-integration.yml

* Update environment.yml

* Update environment-integration.yml

---------

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Co-authored-by: pyironrunner <pyiron@mpie.de>
Co-authored-by: Jan Janssen <jan-janssen@users.noreply.github.com>

Author: 3 people

.ci_support/environment-docs.yml

@@ -13,6 +13,6 @@ dependencies:
 - cloudpickle =3.1.1
 - h5py =3.14.0
 - jupyter-book =1.0.0
-- mpi4py =4.0.1
+- mpi4py =4.1.0
 - python =3.12
 - pyzmq =27.1.0

.ci_support/environment-integration.yml

@@ -7,11 +7,10 @@ dependencies:
 - numpy
 - openmpi
 - papermill
-- atomistics =0.2.5
+- atomistics =0.3.0
 - cloudpickle =3.1.1
-- flux-core =0.59.0
-- gpaw =24.6.0
-- gpaw-data <1
+- flux-core =0.64.0
+- gpaw =25.7.0
 - hatchling =1.27.0
 - hatch-vcs =0.5.0
 - ipython =9.0.2

.ci_support/environment-mpich.yml

@@ -9,7 +9,7 @@ dependencies:
 - hatchling =1.27.0
 - hatch-vcs =0.5.0
 - ipython =9.0.2
-- mpi4py =4.0.1
+- mpi4py =4.1.0
 - networkx =3.4.2
 - pygraphviz =1.14
 - pysqa =0.3.2

.ci_support/environment-openmpi.yml

@@ -9,7 +9,7 @@ dependencies:
 - hatchling =1.27.0
 - hatch-vcs =0.5.0
 - ipython =9.0.2
-- mpi4py =4.0.1
+- mpi4py =4.1.0
 - networkx =3.4.2
 - pygraphviz =1.14
 - pysqa =0.3.2

.ci_support/environment-win.yml

@@ -9,7 +9,7 @@ dependencies:
 - hatchling =1.27.0
 - hatch-vcs =0.5.0
 - ipython =9.0.2
-- mpi4py =4.0.1
+- mpi4py =4.1.0
 - networkx =3.4.2
 - pygraphviz =1.14
 - pyzmq =27.1.0

.github/workflows/pipeline.yml

@@ -198,7 +198,7 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 5
       run: |
-        echo -e '- coverage\n- flux-core =0.59.0'>> .ci_support/environment-mpich.yml
+        echo -e '- coverage\n- flux-core =0.64.0'>> .ci_support/environment-mpich.yml
         cat .ci_support/environment-mpich.yml
     - uses: conda-incubator/setup-miniconda@v3
       with:
@@ -229,7 +229,7 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 5
       run: |
-        echo -e '- coverage\n- flux-core =0.59.0\n- flux-pmix=0.5.0' >> .ci_support/environment-openmpi.yml
+        echo -e '- coverage\n- flux-core =0.64.0\n- flux-pmix=0.5.0' >> .ci_support/environment-openmpi.yml
         cat .ci_support/environment-openmpi.yml
     - uses: conda-incubator/setup-miniconda@v3
       with:

binder/environment.yml

@@ -5,14 +5,14 @@ dependencies:
 - numpy
 - openmpi
 - cloudpickle =3.1.1
-- flux-core =0.59.0
+- flux-core =0.64.0
 - flux-pmix =0.5.0
 - hatchling =1.27.0
 - hatch-vcs =0.5.0
 - h5py =3.12.1
 - ipython =9.0.2
 - matplotlib =3.10.0
-- mpi4py =4.0.1
+- mpi4py =4.1.0
 - networkx =3.4.2
 - pygraphviz =1.14
 - pysqa =0.3.2

pyproject.toml

@@ -50,13 +50,13 @@ graphnotebook = [
     "networkx==3.4.2",
     "ipython==9.0.2",
 ]
-mpi = ["mpi4py==4.0.1"]
+mpi = ["mpi4py==4.1.0"]
 cluster = [
     "pysqa==0.3.2",
     "h5py==3.14.0",
 ]
 all = [
-    "mpi4py==4.0.1",
+    "mpi4py==4.1.0",
     "pysqa==0.3.2",
     "h5py==3.14.0",
     "pygraphviz==1.14",