Bump pyiron ecosystem (#313)

* Bump pyiron ecosystem * [dependabot skip] Update env file * Bumpy pympipool in conda env * Be more gracious in parallel for-loop speed test * [dependabot skip] Update env file * Bump base in the conda env * [dependabot skip] Update env file * Downgrade pympipool pylammpsmpi, and thus pyiron_atomistics is still a patch behind, and to my chagrin patches remain hard-pinned in pyiron_atomistics * Update deepdive notebook to use changed pympipool signature * [dependabot skip] Update env file --------- Co-authored-by: pyiron-runner <[email protected]>
pyiron · May 6, 2024 · 083e9fb · 083e9fb
1 parent 8833f5b
commit 083e9fb
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Showing 7 changed files with 42 additions and 43 deletions.
diff --git a/.binder/environment.yml b/.binder/environment.yml
@@ -9,16 +9,16 @@ dependencies:
 - h5io =0.2.2
 - h5io_browser =0.0.12
 - matplotlib =3.8.4
-- pyiron_base =0.8.2
+- pyiron_base =0.8.3
 - pyiron_contrib =0.1.16
-- pympipool =0.7.17
+- pympipool =0.8.0
 - python-graphviz =0.20.3
 - toposort =1.10
 - typeguard =4.2.1
 - ase =3.22.1
 - atomistics =0.1.27
 - lammps
 - phonopy =2.22.1
-- pyiron_atomistics =0.5.3
+- pyiron_atomistics =0.5.4
 - pyiron-data =0.0.29
 - numpy =1.26.4
diff --git a/.ci_support/environment-notebooks.yml b/.ci_support/environment-notebooks.yml
@@ -5,6 +5,6 @@ dependencies:
   - atomistics =0.1.27
   - lammps
   - phonopy =2.22.1
-  - pyiron_atomistics =0.5.3
+  - pyiron_atomistics =0.5.4
   - pyiron-data =0.0.29
   - numpy =1.26.4
diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml
@@ -9,9 +9,9 @@ dependencies:
 - h5io =0.2.2
 - h5io_browser =0.0.12
 - matplotlib =3.8.4
-- pyiron_base =0.8.2
+- pyiron_base =0.8.3
 - pyiron_contrib =0.1.16
-- pympipool =0.7.17
+- pympipool =0.8.0
 - python-graphviz =0.20.3
 - toposort =1.10
 - typeguard =4.2.1
diff --git a/docs/environment.yml b/docs/environment.yml
@@ -14,9 +14,9 @@ dependencies:
 - h5io =0.2.2
 - h5io_browser =0.0.12
 - matplotlib =3.8.4
-- pyiron_base =0.8.2
+- pyiron_base =0.8.3
 - pyiron_contrib =0.1.16
-- pympipool =0.7.17
+- pympipool =0.8.0
 - python-graphviz =0.20.3
 - toposort =1.10
 - typeguard =4.2.1
diff --git a/notebooks/deepdive.ipynb b/notebooks/deepdive.ipynb
diff --git a/setup.py b/setup.py
@@ -34,9 +34,9 @@
         'h5io==0.2.2',
         'h5io_browser==0.0.12',
         'matplotlib==3.8.4',
-        'pyiron_base==0.8.2',
+        'pyiron_base==0.8.3',
         'pyiron_contrib==0.1.16',
-        'pympipool==0.7.17',
+        'pympipool==0.8.0',
         'toposort==1.10',
         'typeguard==4.2.1',
     ],
@@ -46,7 +46,7 @@
             'atomistics==0.1.27',
             'numpy==1.26.4',
             'phonopy==2.22.1',
-            'pyiron_atomistics==0.5.3',
+            'pyiron_atomistics==0.5.4',
         ],
     },
     cmdclass=versioneer.get_cmdclass(),

diff --git a/tests/unit/test_for_loop.py b/tests/unit/test_for_loop.py
@@ -307,7 +307,7 @@ def test_body_node_executor(self):
             for_parallel.body_node_executor = exe
             for_parallel(t=n_procs*[t_sleep])
         dt = perf_counter() - t_start
-        grace = 1.1
+        grace = 1.25
         self.assertLess(
             dt,
             grace * t_sleep,