Merge pull request #231 from pyiron/LAMMPS

jan-janssen · web-flow · commit 5eb91e1108da · 2024-07-26T07:21:27.000+02:00
Update LAMMPS to 2024.06.27
diff --git a/.ci_support/environment-mpich.yml b/.ci_support/environment-mpich.yml
@@ -2,7 +2,7 @@ channels:
 - conda-forge
 dependencies:
 - coverage
-- lammps =2024.02.07
+- lammps =2024.06.27
 - mpich
 - numpy =1.26.4
 - mpi4py =3.1.6
diff --git a/.ci_support/environment-openmpi.yml b/.ci_support/environment-openmpi.yml
@@ -2,7 +2,7 @@ channels:
 - conda-forge
 dependencies:
 - coverage
-- lammps =2024.02.07
+- lammps =2024.06.27
 - openmpi
 - numpy =1.26.4
 - mpi4py =3.1.6
diff --git a/binder/environment.yml b/binder/environment.yml
@@ -3,7 +3,7 @@ channels:
 dependencies:
 - openmpi
 - numpy =1.26.4
-- lammps =2024.02.07
+- lammps =2024.06.27
 - mpi4py =3.1.6
 - executorlib =0.0.1
 - ase =3.23.0
diff --git a/tests/test_base.py b/tests/test_base.py
@@ -109,7 +109,9 @@ def test_cmdarg_options(self):
         self.assertTrue(os.path.isfile(self.citation_file))
 
     def test_version(self):
-        self.assertTrue(self.lmp.version in [20220623, 20230802, 20231121, 20240207])
+        self.assertTrue(
+            self.lmp.version in [20220623, 20230802, 20231121, 20240207, 20240627]
+        )
 
     def test_extract_global(self):
         self.assertEqual(
diff --git a/tests/test_concurrent.py b/tests/test_concurrent.py
@@ -95,7 +95,8 @@ def test_cmdarg_options(self):
 
     def test_version(self):
         self.assertTrue(
-            self.lmp.version.result() in [20220623, 20230802, 20231121, 20240207]
+            self.lmp.version.result()
+            in [20220623, 20230802, 20231121, 20240207, 20240627]
         )
 
     def test_extract_global(self):

Original file line number	Diff line number	Diff line change
`@@ -95,7 +95,8 @@ def test_cmdarg_options(self):`
`95`	`95`
`96`	`96`	`def test_version(self):`
`97`	`97`	`self.assertTrue(`
`98`		`- self.lmp.version.result() in [20220623, 20230802, 20231121, 20240207]`
	`98`	`+ self.lmp.version.result()`
	`99`	`+ in [20220623, 20230802, 20231121, 20240207, 20240627]`
`99`	`100`	`)`
`100`	`101`
`101`	`102`	`def test_extract_global(self):`