From dc6e4b57f64c74602c1a1bd569caaaa60a94372c Mon Sep 17 00:00:00 2001 From: Timo Reents Date: Thu, 15 Jan 2026 13:38:27 +0100 Subject: [PATCH 1/3] Release v2.1.1 --- CHANGELOG.md | 14 ++++++++++++++ pyproject.toml | 2 +- seekpath/__init__.py | 4 +++- 3 files changed, 18 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index c68da1e..f0036ac 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,3 +1,17 @@ +# v2.1.1 +* DevOps: Replaced `setup.py` by `pyproject.toml`, updated README and fixed CI [710fd75](https://github.com/giovannipizzi/seekpath/commit/710fd7542a307adef3a18154860b298131284499) +* DevOps: Update CI and pre-commit (e.g., black to ruff, enable prospector again) [9ca3dd9](https://github.com/giovannipizzi/seekpath/commit/9ca3dd9cd9f10735db49b05b0ba468ab2558c792) +* Improve `spglib` version check [d910bb3](https://github.com/giovannipizzi/seekpath/commit/d910bb372139d642ef008931c7f39adf705faaa9) +* Refactor `get_BZ` and implement it as the `BZ` class [b056ae2](https://github.com/giovannipizzi/seekpath/commit/b056ae24a9cf0cd60bb1fd05d6298a019de1ec0a) +* Handle `spglib` DeprecationWarning [2bdcc05](https://github.com/giovannipizzi/seekpath/pull/105/commits/2bdcc052b20e41b51e663022854239c4998e9163) + + + +# v2.1.0 +* More recent Python version [154e681](https://github.com/giovannipizzi/seekpath/commit/154e681125f28074475415c78e4b99c51cb3aa02) +* `k path` for the original cell without standardization [1739078](https://github.com/giovannipizzi/seekpath/commit/1739078c4531a7bd1fe695a39d7b88629661ce48) + + # v2.0.0 - Dropped python 2 support - Moved out the web tool to [tools-seekpath](https://github.com/materialscloud-org/tools-seekpath), based on [tools-barebone](https://github.com/materialscloud-org/tools-barebone), whose codebases mostly take inspiration from the web tool implemented in seekpath v1.x diff --git a/pyproject.toml b/pyproject.toml index 6e2da0c..0f02e4c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ requires = ['flit_core >=3.4,<4'] [project] name = "seekpath" -version = "2.1.0" +dynamic = ['version'] description = "A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures" keywords = ["path", "band structure", "Brillouin", "crystallography", "physics", "primitive cell", "conventional cell"] readme = "README.md" diff --git a/seekpath/__init__.py b/seekpath/__init__.py index 0d3f810..72ac617 100644 --- a/seekpath/__init__.py +++ b/seekpath/__init__.py @@ -5,12 +5,14 @@ path in a 3D Brillouin zone to plot band structures. Author: Giovanni Pizzi, PSI (2016-2023) +Maintainer: Timo Reents, PSI (2025-onwards) Licence: MIT License, see LICENSE.txt file """ -__version__ = '2.1.0' +__version__ = '2.1.1' __author__ = 'Giovanni Pizzi, PSI' +__maintainer__ = 'Timo Reents, PSI' __copyright__ = ( 'Copyright (c), 2016-2023, Giovanni Pizzi, PAUL SCHERRER INSTITUT ' '(Laboratory for Materials Simulations), EPFL ' From 11a10d87b309ba544ad9999c19eaa4a5fbfdb3e7 Mon Sep 17 00:00:00 2001 From: Timo Reents Date: Thu, 15 Jan 2026 13:50:23 +0100 Subject: [PATCH 2/3] Updating Downloads URL --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 0f02e4c..1ac2580 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -36,7 +36,7 @@ license = {text = "The MIT license"} [project.urls] Homepage = "http://github.com/giovannipizzi/seekpath" -Downloads = "https://github.com/giovannipizzi/seekpath/archive/v2.1.0.tar.gz" +Downloads = "https://github.com/giovannipizzi/seekpath/archive/v2.1.1.tar.gz" [project.optional-dependencies] bz = [ From 8db1d80100a8e2e93323a940956ba34e1c1ee863 Mon Sep 17 00:00:00 2001 From: Timo Reents Date: Fri, 16 Jan 2026 16:29:27 +0100 Subject: [PATCH 3/3] Decided to do a v2.2.0 instead of 2.1.1, due to breaking changes related to and --- CHANGELOG.md | 2 +- pyproject.toml | 2 +- seekpath/__init__.py | 6 +++--- 3 files changed, 5 insertions(+), 5 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index f0036ac..bcd85a3 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,4 +1,4 @@ -# v2.1.1 +# v2.2.0 * DevOps: Replaced `setup.py` by `pyproject.toml`, updated README and fixed CI [710fd75](https://github.com/giovannipizzi/seekpath/commit/710fd7542a307adef3a18154860b298131284499) * DevOps: Update CI and pre-commit (e.g., black to ruff, enable prospector again) [9ca3dd9](https://github.com/giovannipizzi/seekpath/commit/9ca3dd9cd9f10735db49b05b0ba468ab2558c792) * Improve `spglib` version check [d910bb3](https://github.com/giovannipizzi/seekpath/commit/d910bb372139d642ef008931c7f39adf705faaa9) diff --git a/pyproject.toml b/pyproject.toml index 1ac2580..e81b849 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -36,7 +36,7 @@ license = {text = "The MIT license"} [project.urls] Homepage = "http://github.com/giovannipizzi/seekpath" -Downloads = "https://github.com/giovannipizzi/seekpath/archive/v2.1.1.tar.gz" +Downloads = "https://github.com/giovannipizzi/seekpath/archive/v2.2.0.tar.gz" [project.optional-dependencies] bz = [ diff --git a/seekpath/__init__.py b/seekpath/__init__.py index 72ac617..62e291a 100644 --- a/seekpath/__init__.py +++ b/seekpath/__init__.py @@ -4,17 +4,17 @@ The seekpath module contains routines to get automatically the path in a 3D Brillouin zone to plot band structures. -Author: Giovanni Pizzi, PSI (2016-2023) +Author: Giovanni Pizzi, PSI (2016-onwards) Maintainer: Timo Reents, PSI (2025-onwards) Licence: MIT License, see LICENSE.txt file """ -__version__ = '2.1.1' +__version__ = '2.2.0' __author__ = 'Giovanni Pizzi, PSI' __maintainer__ = 'Timo Reents, PSI' __copyright__ = ( - 'Copyright (c), 2016-2023, Giovanni Pizzi, PAUL SCHERRER INSTITUT ' + 'Copyright (c), 2016-2026, Giovanni Pizzi, PAUL SCHERRER INSTITUT ' '(Laboratory for Materials Simulations), EPFL ' '(Theory and Simulation of Materials (THEOS) and National Centre ' 'for Computational Design and Discovery of Novel Materials '