From c5dec4d50bb41792deae8e4091edfaa9ead619c8 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 22 Jun 2026 10:34:16 +0200 Subject: [PATCH 1/2] Update ase to 3.29.0 --- .ci_support/environment-docs.yml | 2 +- .ci_support/environment-mini.yml | 2 +- .ci_support/environment.yml | 2 +- binder/environment.yml | 2 +- pyproject.toml | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml index 2530abc..330043e 100644 --- a/.ci_support/environment-docs.yml +++ b/.ci_support/environment-docs.yml @@ -9,7 +9,7 @@ dependencies: - myst-parser - hatchling =1.30.1 - hatch-vcs =0.5.0 -- ase =3.28.0 +- ase =3.29.0 - h5py =3.16.0 - numpy =2.4.6 - pandas =3.0.3 diff --git a/.ci_support/environment-mini.yml b/.ci_support/environment-mini.yml index f0de30b..56fc366 100644 --- a/.ci_support/environment-mini.yml +++ b/.ci_support/environment-mini.yml @@ -3,7 +3,7 @@ channels: dependencies: - hatchling =1.30.1 - hatch-vcs =0.5.0 -- ase =3.28.0 +- ase =3.29.0 - numpy =2.4.6 - pandas =3.0.3 - scipy =1.17.1 \ No newline at end of file diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index d1970b8..8dcdc4a 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -3,7 +3,7 @@ channels: dependencies: - hatchling =1.30.1 - hatch-vcs =0.5.0 -- ase =3.28.0 +- ase =3.29.0 - h5py =3.16.0 - numpy =2.4.6 - pandas =3.0.3 diff --git a/binder/environment.yml b/binder/environment.yml index 2594fec..5d97663 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- ase =3.28.0 +- ase =3.29.0 - h5py =3.16.0 - numpy =2.4.3 - pandas =3.0.2 diff --git a/pyproject.toml b/pyproject.toml index 0918515..7696463 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -34,7 +34,7 @@ classifiers = [ "Programming Language :: Python :: 3.14", ] dependencies = [ - "ase==3.28.0", + "ase==3.29.0", "numpy==2.4.6", "pandas==3.0.3", "scipy==1.17.1", From 277fda0bf69fce68b9f21cc904a6fb9256b3675f Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 22 Jun 2026 10:44:43 +0200 Subject: [PATCH 2/2] Update structuretoolkit to 0.0.45 --- .ci_support/environment-docs.yml | 2 +- .ci_support/environment.yml | 2 +- pyproject.toml | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml index 330043e..af37f75 100644 --- a/.ci_support/environment-docs.yml +++ b/.ci_support/environment-docs.yml @@ -14,4 +14,4 @@ dependencies: - numpy =2.4.6 - pandas =3.0.3 - scipy =1.17.1 -- structuretoolkit =0.0.44 +- structuretoolkit =0.0.45 diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 8dcdc4a..9597b75 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -8,4 +8,4 @@ dependencies: - numpy =2.4.6 - pandas =3.0.3 - scipy =1.17.1 -- structuretoolkit =0.0.44 +- structuretoolkit =0.0.45 diff --git a/pyproject.toml b/pyproject.toml index 7696463..cc403a0 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -48,7 +48,7 @@ Repository = "https://github.com/pyiron/lammpsparser" [project.optional-dependencies] h5md = ["h5py==3.16.0"] -compatibility = ["structuretoolkit==0.0.44"] +compatibility = ["structuretoolkit==0.0.45"] [tool.hatch.build] include = [