diff --git a/.binder/environment.yml b/.binder/environment.yml index 5d0eac3..d89cfa4 100644 --- a/.binder/environment.yml +++ b/.binder/environment.yml @@ -5,7 +5,7 @@ dependencies: - pip - numpy =1.26.4 - ase =3.26.0 -- pymatgen =2025.6.14 +- pymatgen =2025.10.7 - pyiron_workflow =0.15.2 - pyiron_lammps =0.4.6 - pandas =2.3.1 diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index ffa3b87..d89cfa4 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -1,17 +1,16 @@ channels: - - conda-forge +- conda-forge dependencies: - - python>=3.11,<3.13 - - pip - - numpy =1.26.4 - - ase =3.26.0 - - pymatgen =2025.6.14 - - pyiron_workflow =0.15.2 - - pyiron_lammps =0.4.6 - - pandas =2.3.1 - - lammps =2024.08.29 - # If pyiron_snippets isn’t on conda-forge, install via pip below - - pysqa =0.3.0 - - pip: - - pyiron-workflow-atomistics==0.0.4 - - pyiron-snippets==0.2.0 \ No newline at end of file +- python>=3.11,<3.13 +- pip +- numpy =1.26.4 +- ase =3.26.0 +- pymatgen =2025.10.7 +- pyiron_workflow =0.15.2 +- pyiron_lammps =0.4.6 +- pandas =2.3.1 +- lammps =2024.08.29 +- pysqa =0.3.0 +- pip: + - pyiron-workflow-atomistics==0.0.4 + - pyiron-snippets==0.2.0 diff --git a/docs/environment.yml b/docs/environment.yml index 4a6e8f3..b2187b6 100644 --- a/docs/environment.yml +++ b/docs/environment.yml @@ -11,7 +11,7 @@ dependencies: - pip - numpy =1.26.4 - ase =3.26.0 -- pymatgen =2025.6.14 +- pymatgen =2025.10.7 - pyiron_workflow =0.15.2 - pyiron_lammps =0.4.6 - pandas =2.3.1 diff --git a/pyproject.toml b/pyproject.toml index aee98ee..0f823e9 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -29,7 +29,7 @@ dependencies = [ "pyiron-workflow-atomistics==0.0.4", "pyiron-lammps==0.4.6", "ase==3.26.0", - "pymatgen==2025.6.14", + "pymatgen==2025.10.7", ] dynamic = ["version"] authors = [