Merge pull request #329 from pyiron/dependabot/pip/pylammpsmpi-0.2.24

Bump pylammpsmpi from 0.2.23 to 0.2.24
pyiron · Aug 24, 2024 · ddbdefe · ddbdefe
2 parents 0293710 + 25a2094
commit ddbdefe
Show file tree

Hide file tree

Showing 9 changed files with 11 additions and 11 deletions.
diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml
@@ -16,6 +16,6 @@ dependencies:
 - seekpath =2.1.0
 - lammps =2024.06.27
 - pandas =2.2.2
-- pylammpsmpi =0.2.23
+- pylammpsmpi =0.2.24
 - jinja2 =3.1.4
 - jupyter-book =1.0.0
diff --git a/.ci_support/environment-lammps.yml b/.ci_support/environment-lammps.yml
@@ -4,7 +4,7 @@ dependencies:
 - lammps =2024.06.27=*openmpi*
 - openmpi =4.1.6
 - pandas =2.2.2
-- pylammpsmpi =0.2.23
+- pylammpsmpi =0.2.24
 - jinja2 =3.1.4
 - iprpy-data =2023.07.25
 - dynaphopy =1.17.16
diff --git a/.ci_support/environment-notebooks.yml b/.ci_support/environment-notebooks.yml
@@ -6,6 +6,6 @@ dependencies:
 - gpaw =24.6.0
 - lammps =2024.06.27
 - pandas =2.2.2
-- pylammpsmpi =0.2.23
+- pylammpsmpi =0.2.24
 - jinja2 =3.1.4
 - dynaphopy =1.17.16
diff --git a/atomistics/calculators/lammps/calculator.py b/atomistics/calculators/lammps/calculator.py
@@ -477,7 +477,7 @@ def evaluate_with_lammps(
     logger=None,
     log_file=None,
     library=None,
-    diable_log_file: bool = True,
+    disable_log_file: bool = True,
     lmp_optimizer_kwargs={},
 ) -> dict:
     lmp = LammpsASELibrary(
@@ -487,7 +487,7 @@ def evaluate_with_lammps(
         logger=logger,
         log_file=log_file,
         library=library,
-        diable_log_file=diable_log_file,
+        disable_log_file=disable_log_file,
     )
     results_dict = evaluate_with_lammps_library(
         task_dict=task_dict,

diff --git a/atomistics/calculators/lammps/phonon.py b/atomistics/calculators/lammps/phonon.py
@@ -124,7 +124,7 @@ def calc_molecular_dynamics_phonons_with_lammps(
         potential_dataframe=potential_dataframe,
         input_template=None,
         lmp=None,
-        diable_log_file=False,
+        disable_log_file=False,
         working_directory=".",
     )
     (

diff --git a/binder/environment.yml b/binder/environment.yml
@@ -11,7 +11,7 @@ dependencies:
 - gpaw =24.6.0
 - lammps =2024.06.27
 - pandas =2.2.2
-- pylammpsmpi =0.2.23
+- pylammpsmpi =0.2.24
 - jinja2 =3.1.4
 - dynaphopy =1.17.16
 - tqdm =4.66.5
diff --git a/notebooks/free_energy_calculation.ipynb b/notebooks/free_energy_calculation.ipynb
@@ -627,7 +627,7 @@
     "            logger=None,\n",
     "            log_file=None,\n",
     "            library=None,\n",
-    "            diable_log_file=True,\n",
+    "            disable_log_file=True,\n",
     "        )\n",
     "        for i in tqdm(steps_lst):\n",
     "            task_dict = workflow_md_thermo.generate_structures()\n",

diff --git a/notebooks/lammps_workflows.ipynb b/notebooks/lammps_workflows.ipynb
@@ -730,7 +730,7 @@
     "    logger=None,\n",
     "    log_file=None,\n",
     "    library=None,\n",
-    "    diable_log_file=True,\n",
+    "    disable_log_file=True,\n",
     ")\n",
     "eng_pot_lst, eng_kin_lst = [], []\n",
     "for i in range(steps):\n",

diff --git a/pyproject.toml b/pyproject.toml
@@ -46,12 +46,12 @@ gpaw = [
     "gpaw==24.6.0",
 ]
 lammps = [
-    "pylammpsmpi==0.2.23",
+    "pylammpsmpi==0.2.24",
     "jinja2==3.1.4",
     "pandas==2.2.2",
 ]
 lammps_phonons = [
-    "pylammpsmpi==0.2.23",
+    "pylammpsmpi==0.2.24",
     "jinja2==3.1.4",
     "pandas==2.2.2",
     "dynaphopy==1.17.16",