diff --git a/docs/conf.py b/docs/conf.py index fa1cdb7b..86db5ebc 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -62,7 +62,7 @@ # The short X.Y version. version = "2.5" # The full version, including alpha/beta/rc tags. -release = "2.5.1" +release = "2.5.5" # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/requirements.txt b/requirements.txt index fa74d35c..0341cc29 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,154 +1,122 @@ -# This file is autogenerated by pip-compile with Python 3.9 -# by the following command: -# -# pip-compile -# -ase==3.22.1 - # via SMACT (setup.py) -certifi==2023.7.22 - # via requests -charset-normalizer==3.2.0 - # via requests -contourpy==1.1.0 - # via matplotlib -cycler==0.11.0 - # via matplotlib -dill==0.3.7 - # via - # multiprocess - # pathos -emmet-core==0.66.0 - # via mp-api -fonttools==4.42.1 - # via matplotlib -future==0.18.3 - # via uncertainties -idna==3.4 - # via requests -importlib-resources==6.0.1 - # via matplotlib -joblib==1.3.2 - # via pymatgen -kiwisolver==1.4.5 - # via matplotlib -latexcodec==2.0.1 - # via pybtex -matplotlib==3.7.2 - # via - # ase - # pymatgen -monty==2023.8.8 - # via - # emmet-core - # mp-api - # pymatgen -mp-api==0.35.1 - # via pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.0.5 - # via mp-api -multiprocess==0.70.15 - # via pathos -networkx==3.1 - # via pymatgen -numpy==1.24.4 - # via - # SMACT (setup.py) - # ase - # contourpy - # matplotlib - # pandas - # pymatgen - # scipy - # spglib -packaging==23.1 - # via - # matplotlib - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.0.3 - # via - # SMACT (setup.py) - # pymatgen -pathos==0.3.1 - # via SMACT (setup.py) -pillow==10.0.1 - # via matplotlib -plotly==5.16.1 - # via pymatgen -pox==0.3.3 - # via pathos -ppft==1.7.6.7 - # via pathos -pybtex==0.24.0 - # via - # emmet-core - # pymatgen -pydantic==2.5.2 - # via - # emmet-core - # pymatgen -pymatgen==2023.7.20 - # via - # SMACT (setup.py) - # emmet-core - # mp-api -pyparsing==3.1.1 - # via matplotlib -python-dateutil==2.8.2 - # via - # matplotlib - # pandas -pytz==2023.3 - # via pandas -pyyaml==6.0.1 - # via pybtex -requests==2.31.0 - # via - # mp-api - # pymatgen -ruamel-yaml==0.17.32 - # via pymatgen -ruamel-yaml-clib==0.2.7 - # via ruamel-yaml -scipy==1.10.1 - # via - # SMACT (setup.py) - # ase - # pymatgen -six==1.16.0 - # via - # latexcodec - # pybtex - # python-dateutil -spglib==2.0.2 - # via - # SMACT (setup.py) - # emmet-core - # pymatgen -sympy==1.12 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tenacity==8.2.3 - # via plotly -tqdm==4.66.1 - # via pymatgen -typing-extensions==4.7.1 - # via - # emmet-core - # mp-api - # pydantic -tzdata==2023.3 - # via pandas -uncertainties==3.1.7 - # via pymatgen -urllib3==2.0.7 - # via requests -zipp==3.16.2 - # via importlib-resources - -# The following packages are considered to be unsafe in a requirements file: -# setuptools \ No newline at end of file +# +# This file is autogenerated by pip-compile with Python 3.10 +# by the following command: +# +# pip-compile +# +ase==3.22.1 + # via SMACT (setup.py) +certifi==2023.11.17 + # via requests +charset-normalizer==3.3.2 + # via requests +contourpy==1.2.0 + # via matplotlib +cycler==0.12.1 + # via matplotlib +dill==0.3.7 + # via + # multiprocess + # pathos +fonttools==4.46.0 + # via matplotlib +future==0.18.3 + # via uncertainties +idna==3.6 + # via requests +joblib==1.3.2 + # via pymatgen +kiwisolver==1.4.5 + # via matplotlib +latexcodec==2.0.1 + # via pybtex +matplotlib==3.8.2 + # via + # ase + # pymatgen +monty==2023.11.3 + # via pymatgen +mpmath==1.3.0 + # via sympy +multiprocess==0.70.15 + # via pathos +networkx==3.2.1 + # via pymatgen +numpy==1.26.2 + # via + # SMACT (setup.py) + # ase + # contourpy + # matplotlib + # pandas + # pymatgen + # scipy + # spglib +packaging==23.2 + # via + # matplotlib + # plotly +palettable==3.3.3 + # via pymatgen +pandas==2.1.3 + # via + # SMACT (setup.py) + # pymatgen +pathos==0.3.1 + # via SMACT (setup.py) +pillow==10.1.0 + # via matplotlib +plotly==5.18.0 + # via pymatgen +pox==0.3.3 + # via pathos +ppft==1.7.6.7 + # via pathos +pybtex==0.24.0 + # via pymatgen +pymatgen==2023.11.12 + # via SMACT (setup.py) +pyparsing==3.1.1 + # via matplotlib +python-dateutil==2.8.2 + # via + # matplotlib + # pandas +pytz==2023.3.post1 + # via pandas +pyyaml==6.0.1 + # via pybtex +requests==2.31.0 + # via pymatgen +ruamel-yaml==0.18.5 + # via pymatgen +ruamel-yaml-clib==0.2.8 + # via ruamel-yaml +scipy==1.11.4 + # via + # SMACT (setup.py) + # ase + # pymatgen +six==1.16.0 + # via + # latexcodec + # pybtex + # python-dateutil +spglib==2.1.0 + # via + # SMACT (setup.py) + # pymatgen +sympy==1.12 + # via pymatgen +tabulate==0.9.0 + # via pymatgen +tenacity==8.2.3 + # via plotly +tqdm==4.66.1 + # via pymatgen +tzdata==2023.3 + # via pandas +uncertainties==3.1.7 + # via pymatgen +urllib3==2.1.0 + # via requests diff --git a/setup.py b/setup.py index f0778ecf..8b151a32 100644 --- a/setup.py +++ b/setup.py @@ -5,10 +5,10 @@ __copyright__ = ( "Copyright Daniel W. Davies, Adam J. Jackson, Keith T. Butler (2019)" ) -__version__ = "2.5.4" +__version__ = "2.5.5" __maintainer__ = "Anthony O. Onwuli" __maintaier_email__ = "anthony.onwuli16@imperial.ac.uk" -__date__ = "November 30 2023" +__date__ = "December 7 2023" import os import unittest