From de9659edbd0f043c0948c7dbe04d73fdba8e4ff2 Mon Sep 17 00:00:00 2001 From: Anthony Onwuli Date: Thu, 24 Aug 2023 14:27:18 +0100 Subject: [PATCH 1/4] Update requirements.txt using pip-compile --- requirements.txt | 166 +++++++++++++++++++++++++++++++++++++++++++---- 1 file changed, 155 insertions(+), 11 deletions(-) diff --git a/requirements.txt b/requirements.txt index 41c9be93..875f84ec 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,11 +1,155 @@ -numpy == 1.24.3 -scipy ==1.10.1 -spglib ==2.0.2 -future ==0.18.3 -ase ==3.22.1 -pymatgen ==2023.7.20 -pandas == 2.0.3 -pathos ==0.3.0 -pytest ==7.4.0 -pytest-subtests ==0.11.0 -pydantic ==1.* \ No newline at end of file +# +# 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==0.34.3 + # 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==1.24.3 + # 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==0.3.0 + # via SMACT (setup.py) +pillow==10.0.0 + # 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==1.10.12 + # via + # emmet-core + # pymatgen +pymatgen==2023.7.20 + # via + # SMACT (setup.py) + # emmet-core + # mp-api +pyparsing==3.0.9 + # 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==2.0.4 + # via requests +zipp==3.16.2 + # via importlib-resources + +# The following packages are considered to be unsafe in a requirements file: +# setuptools From 7fe8d3c4eb24ee8786093ed7603dd017bd7fcce3 Mon Sep 17 00:00:00 2001 From: Anthony Onwuli Date: Thu, 24 Aug 2023 15:25:57 +0100 Subject: [PATCH 2/4] Add requirements files for docs --- docs/requirements.in | 4 +++ docs/requirements.txt | 65 +++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 69 insertions(+) create mode 100644 docs/requirements.in create mode 100644 docs/requirements.txt diff --git a/docs/requirements.in b/docs/requirements.in new file mode 100644 index 00000000..1ee13a2b --- /dev/null +++ b/docs/requirements.in @@ -0,0 +1,4 @@ +# Defining the exact version will make sure things don't break +sphinx==5.3.0 +sphinx_rtd_theme==1.1.1 +readthedocs-sphinx-search==0.1.1 \ No newline at end of file diff --git a/docs/requirements.txt b/docs/requirements.txt new file mode 100644 index 00000000..122723af --- /dev/null +++ b/docs/requirements.txt @@ -0,0 +1,65 @@ +# +# This file is autogenerated by pip-compile with Python 3.9 +# by the following command: +# +# pip-compile +# +alabaster==0.7.13 + # via sphinx +babel==2.12.1 + # via sphinx +certifi==2023.7.22 + # via requests +charset-normalizer==3.2.0 + # via requests +docutils==0.17.1 + # via + # sphinx + # sphinx-rtd-theme +idna==3.4 + # via requests +imagesize==1.4.1 + # via sphinx +importlib-metadata==6.8.0 + # via sphinx +jinja2==3.1.2 + # via sphinx +markupsafe==2.1.3 + # via jinja2 +packaging==23.1 + # via sphinx +pygments==2.16.1 + # via sphinx +readthedocs-sphinx-search==0.1.1 + # via -r requirements.in +requests==2.31.0 + # via sphinx +snowballstemmer==2.2.0 + # via sphinx +sphinx==5.3.0 + # via + # -r requirements.in + # sphinx-rtd-theme + # sphinxcontrib-applehelp + # sphinxcontrib-devhelp + # sphinxcontrib-htmlhelp + # sphinxcontrib-qthelp + # sphinxcontrib-serializinghtml +sphinx-rtd-theme==1.1.1 + # via -r requirements.in +sphinxcontrib-applehelp==1.0.7 + # via sphinx +sphinxcontrib-devhelp==1.0.5 + # via sphinx +sphinxcontrib-htmlhelp==2.0.4 + # via sphinx +sphinxcontrib-jsmath==1.0.1 + # via sphinx +sphinxcontrib-qthelp==1.0.6 + # via sphinx +sphinxcontrib-serializinghtml==1.1.9 + # via sphinx +urllib3==2.0.4 + # via requests +zipp==3.16.2 + # via importlib-metadata From f534eea72834158ac457b9bf1b745b836492bf43 Mon Sep 17 00:00:00 2001 From: Anthony Onwuli Date: Thu, 24 Aug 2023 15:26:21 +0100 Subject: [PATCH 3/4] Update .readthedocs.yaml --- .readthedocs.yaml | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/.readthedocs.yaml b/.readthedocs.yaml index 5c2617ef..723ca6ca 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -7,4 +7,9 @@ build: # Build documentation in the docs/ directory with Sphinx sphinx: - configuration: docs/conf.py \ No newline at end of file + configuration: docs/conf.py + +# Explicitly set the version of Python and its requirements +python: + install: + - requirements: docs/requirements.txt \ No newline at end of file From 6eccdf2f0a9fbd87b376439d7d12eda7a1aefde9 Mon Sep 17 00:00:00 2001 From: Anthony Onwuli Date: Thu, 24 Aug 2023 15:37:44 +0100 Subject: [PATCH 4/4] Fix requirements for python3.8 compatibility --- docs/requirements.txt | 19 ++++++++----------- 1 file changed, 8 insertions(+), 11 deletions(-) diff --git a/docs/requirements.txt b/docs/requirements.txt index 122723af..549fb24c 100644 --- a/docs/requirements.txt +++ b/docs/requirements.txt @@ -1,5 +1,5 @@ # -# This file is autogenerated by pip-compile with Python 3.9 +# This file is autogenerated by pip-compile with Python 3.8 # by the following command: # # pip-compile @@ -30,6 +30,8 @@ packaging==23.1 # via sphinx pygments==2.16.1 # via sphinx +pytz==2023.3 + # via babel readthedocs-sphinx-search==0.1.1 # via -r requirements.in requests==2.31.0 @@ -40,24 +42,19 @@ sphinx==5.3.0 # via # -r requirements.in # sphinx-rtd-theme - # sphinxcontrib-applehelp - # sphinxcontrib-devhelp - # sphinxcontrib-htmlhelp - # sphinxcontrib-qthelp - # sphinxcontrib-serializinghtml sphinx-rtd-theme==1.1.1 # via -r requirements.in -sphinxcontrib-applehelp==1.0.7 +sphinxcontrib-applehelp==1.0.4 # via sphinx -sphinxcontrib-devhelp==1.0.5 +sphinxcontrib-devhelp==1.0.2 # via sphinx -sphinxcontrib-htmlhelp==2.0.4 +sphinxcontrib-htmlhelp==2.0.1 # via sphinx sphinxcontrib-jsmath==1.0.1 # via sphinx -sphinxcontrib-qthelp==1.0.6 +sphinxcontrib-qthelp==1.0.3 # via sphinx -sphinxcontrib-serializinghtml==1.1.9 +sphinxcontrib-serializinghtml==1.1.5 # via sphinx urllib3==2.0.4 # via requests