diff --git a/.binder/environment.yml b/.binder/environment.yml index 1581560..711838b 100644 --- a/.binder/environment.yml +++ b/.binder/environment.yml @@ -16,7 +16,7 @@ dependencies: - isort >=5 - ruff >=0.5 - h5py =3.14.0 -- pysqa =0.3.0 +- pysqa =0.3.1 - pip: - pyiron_snippets>=0.2.0 - -e .[dev] diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 3656315..711838b 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -1,23 +1,22 @@ channels: - - conda-forge +- conda-forge dependencies: - - setuptools >=68 - - python >=3.11 - - pip - - numpy >=1.26 - - pandas >=2.0 - - ase >=3.22 - - pymatgen >=2024.6 - - pyiron_workflow >=0.1.0 - - pyiron_lammps - # If pyiron_snippets isn’t on conda-forge, install via pip below - - pytest >=7 - - pytest-cov >=4 - - black >=24 - - isort >=5 - - ruff >=0.5 - - h5py =3.14.0 - - pysqa =0.3.0 - - pip: - - pyiron_snippets>=0.2.0 - - -e .[dev] # install your package + dev extras in editable mode +- setuptools >=68 +- python >=3.11 +- pip +- numpy >=1.26 +- pandas >=2.0 +- ase >=3.22 +- pymatgen >=2024.6 +- pyiron_workflow >=0.1.0 +- pyiron_lammps +- pytest >=7 +- pytest-cov >=4 +- black >=24 +- isort >=5 +- ruff >=0.5 +- h5py =3.14.0 +- pysqa =0.3.1 +- pip: + - pyiron_snippets>=0.2.0 + - -e .[dev] diff --git a/docs/environment.yml b/docs/environment.yml index 7a0e948..1339a42 100644 --- a/docs/environment.yml +++ b/docs/environment.yml @@ -22,7 +22,7 @@ dependencies: - isort >=5 - ruff >=0.5 - h5py =3.14.0 -- pysqa =0.3.0 +- pysqa =0.3.1 - pip: - pyiron_snippets>=0.2.0 - -e .[dev] diff --git a/pyproject.toml b/pyproject.toml index 6233890..69421bd 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -57,7 +57,7 @@ notebook = [ "notebook>=6.0.0", ] cluster = [ - "pysqa==0.3.0", + "pysqa==0.3.1", "h5py==3.14.0", ]