From a8c2b016ac5c665525d4eb184831c7da01fa07b4 Mon Sep 17 00:00:00 2001 From: Shyue Ping Ong Date: Thu, 9 Jan 2025 12:43:19 -0800 Subject: [PATCH] Update change log. --- docs/CHANGES.md | 9 +++++++++ requirements.txt | 40 ++++++++++++++++++++-------------------- 2 files changed, 29 insertions(+), 20 deletions(-) diff --git a/docs/CHANGES.md b/docs/CHANGES.md index a7c9276b17a..cb3bc909c10 100644 --- a/docs/CHANGES.md +++ b/docs/CHANGES.md @@ -6,6 +6,15 @@ nav_order: 4 # Changelog +## 2025.1.9 +- Iterating Element no longer contains isotopes (D and T). (@DanielYang59) +- Remove is_rare_earth_metal from ElementBase (@jdewasseigeosium) +- Fix DOS parsing for SOC calculations (@kavanase) +- Added Pure Random Algo to OrderDisorderedStructureTransformation (@jmmshn) +- Fix ion formula check in ion_or_solid_comp_object of analysis.pourbaix_diagram (@DanielYang59) +- AseAtomsAdaptor: Support arbitrary selective dynamics constraints (@yantar92) +- Explicit UTF-8 encoding for zopen and open. (@DanielYang59) + ## 2024.11.13 - CP2K fixes (@janosh) diff --git a/requirements.txt b/requirements.txt index cd42df82a98..0c30946786b 100644 --- a/requirements.txt +++ b/requirements.txt @@ -2,29 +2,29 @@ # uv pip compile pyproject.toml -o requirements.txt certifi==2024.8.30 # via requests -charset-normalizer==3.3.2 +charset-normalizer==3.4.0 # via requests -contourpy==1.2.1 +contourpy==1.3.1 # via matplotlib cycler==0.12.1 # via matplotlib -fonttools==4.53.0 +fonttools==4.55.0 # via matplotlib -idna==3.7 +idna==3.10 # via requests joblib==1.4.2 # via pymatgen (pyproject.toml) -kiwisolver==1.4.5 +kiwisolver==1.4.7 # via matplotlib latexcodec==3.0.0 # via pybtex matplotlib==3.9.2 # via pymatgen (pyproject.toml) -monty==2024.10.21 +monty==2025.1.9 # via pymatgen (pyproject.toml) mpmath==1.3.0 # via sympy -networkx==3.3 +networkx==3.4.2 # via pymatgen (pyproject.toml) numpy==2.0.0 # via @@ -34,37 +34,37 @@ numpy==2.0.0 # pandas # scipy # spglib -packaging==24.1 +packaging==24.2 # via # matplotlib # plotly palettable==3.3.3 # via pymatgen (pyproject.toml) -pandas==2.2.2 +pandas==2.2.3 # via pymatgen (pyproject.toml) pillow==11.0.0 # via matplotlib -plotly==5.22.0 +plotly==5.24.1 # via pymatgen (pyproject.toml) pybtex==0.24.0 # via pymatgen (pyproject.toml) -pyparsing==3.1.2 +pyparsing==3.2.0 # via matplotlib python-dateutil==2.9.0.post0 # via # matplotlib # pandas -pytz==2024.1 +pytz==2024.2 # via pandas pyyaml==6.0.2 # via pybtex requests==2.32.3 # via pymatgen (pyproject.toml) -ruamel-yaml==0.18.6 +ruamel-yaml==0.18.10 # via pymatgen (pyproject.toml) -ruamel-yaml-clib==0.2.8 +ruamel-yaml-clib==0.2.12 # via ruamel-yaml -scipy==1.13.1 +scipy==1.14.1 # via pymatgen (pyproject.toml) six==1.16.0 # via @@ -72,17 +72,17 @@ six==1.16.0 # python-dateutil spglib==2.5.0 # via pymatgen (pyproject.toml) -sympy==1.12.1 +sympy==1.13.1 # via pymatgen (pyproject.toml) tabulate==0.9.0 # via pymatgen (pyproject.toml) -tenacity==8.4.1 +tenacity==9.0.0 # via plotly -tqdm==4.66.5 +tqdm==4.67.1 # via pymatgen (pyproject.toml) -tzdata==2024.1 +tzdata==2024.2 # via pandas -uncertainties==3.2.1 +uncertainties==3.2.2 # via pymatgen (pyproject.toml) urllib3==2.2.3 # via requests