diff --git a/.binder/environment.yml b/.binder/environment.yml index eec7962..c5c1455 100644 --- a/.binder/environment.yml +++ b/.binder/environment.yml @@ -8,7 +8,7 @@ dependencies: - pymatgen =2025.6.14 - pyiron_workflow =0.15.2 - pyiron_lammps =0.4.6 -- pandas =2.3.1 +- pandas =2.3.2 - lammps =2024.08.29 - pysqa =0.3.0 - pip: diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 2b4267a..c5c1455 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -1,18 +1,17 @@ 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==0.0.2 - - pyiron-snippets==0.2.0 - - -e .[dev] # install your package + dev extras in editable mode +- 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 =2.3.2 +- lammps =2024.08.29 +- pysqa =0.3.0 +- pip: + - pyiron-workflow-atomistics==0.0.2 + - pyiron-snippets==0.2.0 + - -e .[dev] diff --git a/docs/environment.yml b/docs/environment.yml index 8b0a02e..a4d03fd 100644 --- a/docs/environment.yml +++ b/docs/environment.yml @@ -14,7 +14,7 @@ dependencies: - pymatgen =2025.6.14 - pyiron_workflow =0.15.2 - pyiron_lammps =0.4.6 -- pandas =2.3.1 +- pandas =2.3.2 - lammps =2024.08.29 - pysqa =0.3.0 - pip: diff --git a/pyproject.toml b/pyproject.toml index 9b8cae8..cf5bdb5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -24,7 +24,7 @@ classifiers = [ ] dependencies = [ "numpy==1.26.4", - "pandas==2.3.1", + "pandas==2.3.2", "pyiron-workflow==0.15.2", "pyiron-workflow-atomistics==0.0.2", "pyiron-lammps==0.4.6",