Update ASE to 3.27.0, pylammpsmpi to 0.3.8, structuretoolkit to 0.0.39, sphinx_parser to 0.1.6 and pyiron_vasp to 0.2.18 (#601)

* Update pyproject.toml

* Update environment.yml

* Update environment.yml

* Update environment-docs.yml

* Update pyproject.toml

* Update environment.yml

* Update environment.yml

* Update environment-docs.yml

* Update pyproject.toml

* Update environment.yml

* Update environment-docs.yml

* Update environment-lammps.yml

* Update environment-notebooks.yml

* Update environment-docs.yml

* Update environment-lammps.yml

* Update environment-notebooks.yml

* Update environment.yml

* Update pyproject.toml

* Update environment-docs.yml

* Update environment.yml

* Update environment.yml

* Update pyproject.toml

Author: jan-janssen

.ci_support/environment-docs.yml

@@ -6,20 +6,20 @@ dependencies:
 - sphinx
 - sphinx_rtd_theme
 - myst-parser
-- ase =3.26.0
+- ase =3.27.0
 - coverage
 - numpy =2.3.5
 - scipy =1.16.3
 - spglib =2.7.0
 - phonopy =2.45.1
-- structuretoolkit =0.0.38
+- structuretoolkit =0.0.39
 - seekpath =2.1.0
 - lammps =2024.08.29
 - pandas =2.3.3
-- pylammpsmpi =0.3.7
+- pylammpsmpi =0.3.8
 - jinja2 =3.1.6
 - jupyter-book =1.0.0
-- pyiron_lammps =0.5.1
-- pyiron_vasp =0.2.17
+- pyiron_lammps =0.5.2
+- pyiron_vasp =0.2.18
 - hatchling =1.27.0
 - hatch-vcs =0.5.0

.ci_support/environment-lammps.yml

@@ -3,8 +3,8 @@ channels:
 dependencies:
 - lammps =2024.08.29=*openmpi*
 - pandas =2.3.3
-- pylammpsmpi =0.3.7
+- pylammpsmpi =0.3.8
 - jinja2 =3.1.6
 - iprpy-data =2023.07.25
 - dynaphopy =1.18.0
-- pyiron_lammps =0.5.1
+- pyiron_lammps =0.5.2

.ci_support/environment-notebooks.yml

@@ -6,7 +6,7 @@ dependencies:
 - gpaw =25.7.0
 - lammps =2024.08.29
 - pandas =2.3.3
-- pylammpsmpi =0.3.7
+- pylammpsmpi =0.3.8
 - jinja2 =3.1.6
 - dynaphopy =1.18.0
-- pyiron_lammps =0.5.1
+- pyiron_lammps =0.5.2

.ci_support/environment.yml

@@ -1,7 +1,7 @@
 channels:
 - conda-forge
 dependencies:
-- ase =3.26.0
+- ase =3.27.0
 - coverage
 - lxml =6.0.2
 - mendeleev =1.1.0
@@ -12,9 +12,9 @@ dependencies:
 - scipy =1.16.3
 - seekpath =2.1.0
 - spglib =2.7.0
-- structuretoolkit =0.0.38
-- sphinx_parser =0.1.5
+- structuretoolkit =0.0.39
+- sphinx_parser =0.1.6
 - tqdm =4.67.1
-- pyiron_vasp =0.2.17
+- pyiron_vasp =0.2.18
 - hatchling =1.27.0
 - hatch-vcs =0.5.0

binder/environment.yml

@@ -1,21 +1,21 @@
 channels:
 - conda-forge
 dependencies:
-- ase =3.26.0
+- ase =3.27.0
 - numpy =2.3.5
 - scipy =1.16.3
 - spglib =2.7.0
 - phonopy =2.45.1
-- structuretoolkit =0.0.38
+- structuretoolkit =0.0.39
 - seekpath =2.1.0
 - gpaw =25.7.0
 - lammps =2024.08.29
 - pandas =2.3.3
-- pylammpsmpi =0.3.7
+- pylammpsmpi =0.3.8
 - jinja2 =3.1.6
 - dynaphopy =1.18.0
 - tqdm =4.67.1
-- pyiron_lammps =0.5.1
-- pyiron_vasp =0.2.17
+- pyiron_lammps =0.5.2
+- pyiron_vasp =0.2.18
 - hatchling =1.27.0
 - hatch-vcs =0.5.0

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
     "Programming Language :: Python :: 3.13",
 ]
 dependencies = [
-    "ase==3.26.0",
+    "ase==3.27.0",
     "numpy==2.3.5",
     "scipy==1.16.3",
     "spglib==2.7.0",
@@ -41,23 +41,23 @@ Repository = "https://github.com/pyiron/atomistics"
 phonopy = [
     "phonopy==2.45.1",
     "seekpath==2.1.0",
-    "structuretoolkit==0.0.38",
+    "structuretoolkit==0.0.39",
 ]
 gpaw = [
     "gpaw==25.7.0",
 ]
 lammps = [
-    "pylammpsmpi==0.3.7",
+    "pylammpsmpi==0.3.8",
     "jinja2==3.1.6",
     "pandas==2.3.3",
-    "pyiron_lammps==0.5.1",
+    "pyiron_lammps==0.5.2",
 ]
 lammps_phonons = [
-    "pylammpsmpi==0.3.7",
+    "pylammpsmpi==0.3.8",
     "jinja2==3.1.6",
     "pandas==2.3.3",
     "dynaphopy==1.18.0",
-    "pyiron_lammps==0.5.1",
+    "pyiron_lammps==0.5.2",
 ]
 experimental = [
     "lxml==6.0.2",
@@ -66,7 +66,7 @@ experimental = [
     "requests==2.32.5",
 ]
 sphinxdft = [
-    "sphinx-parser==0.1.5"
+    "sphinx-parser==0.1.6"
 ]
 qe = [
     "pwtools==1.3.0"
@@ -75,7 +75,7 @@ tqdm = [
     "tqdm==4.67.1"
 ]
 vasp = [
-    "pyiron_vasp==0.2.17"
+    "pyiron_vasp==0.2.18"
 ]
 
 [tool.hatch.build]