From 61c5f3e7efb327907d90d5be999bef628a6dd556 Mon Sep 17 00:00:00 2001 From: Patrick Huck Date: Thu, 27 Oct 2022 12:29:54 -0700 Subject: [PATCH] add requirements files (pip-compile) --- requirements-extras.txt | 241 ++++++++++++++++++++++++++++++++++++++++ requirements.txt | 151 +++++++++++++++++++++++++ 2 files changed, 392 insertions(+) create mode 100644 requirements-extras.txt create mode 100644 requirements.txt diff --git a/requirements-extras.txt b/requirements-extras.txt new file mode 100644 index 000000000..4de842886 --- /dev/null +++ b/requirements-extras.txt @@ -0,0 +1,241 @@ +# +# This file is autogenerated by pip-compile with python 3.9 +# To update, run: +# +# pip-compile --all-extras --output-file=requirements-extras.txt +# +aflow==0.0.11 + # via matminer (setup.py) +ase==3.22.1 + # via + # aflow + # dscribe + # matminer (setup.py) +attrs==22.1.0 + # via jsonschema +beautifulsoup4==4.11.1 + # via aflow +certifi==2022.9.24 + # via requests +cffi==1.15.1 + # via cryptography +charset-normalizer==2.1.1 + # via requests +citrination-client==6.5.1 + # via matminer (setup.py) +contourpy==1.0.5 + # via matplotlib +cryptography==38.0.1 + # via + # globus-sdk + # pyjwt +cycler==0.11.0 + # via matplotlib +dnspython==2.2.1 + # via pymongo +dscribe==1.2.2 + # via matminer (setup.py) +emmet-core==0.38.6 + # via mp-api +fair-research-login==0.3.0 + # via mdf-toolbox +fonttools==4.38.0 + # via matplotlib +future==0.18.2 + # via + # matminer (setup.py) + # uncertainties +globus-nexus-client==0.4.1 + # via mdf-toolbox +globus-sdk==3.13.0 + # via + # fair-research-login + # globus-nexus-client + # mdf-forge + # mdf-toolbox +httplib2==0.20.4 + # via matminer (setup.py) +idna==3.4 + # via requests +jinja2==3.1.2 + # via aflow +jmespath==1.0.1 + # via matminer (setup.py) +joblib==1.2.0 + # via + # dscribe + # scikit-learn +jsonschema==4.3.0 + # via + # matminer (setup.py) + # mdf-toolbox +kiwisolver==1.4.4 + # via matplotlib +latexcodec==2.0.1 + # via pybtex +llvmlite==0.39.1 + # via numba +markupsafe==2.1.1 + # via jinja2 +matplotlib==3.6.1 + # via + # ase + # pymatgen +mdf-forge==0.8.0 + # via matminer (setup.py) +mdf-toolbox==0.6.0 + # via mdf-forge +monty==2022.9.9 + # via + # emmet-core + # matminer (setup.py) + # mp-api + # pymatgen +mp-api==0.29.3 + # via pymatgen +mpmath==1.2.1 + # via sympy +msgpack==1.0.4 + # via mp-api +networkx==2.8.7 + # via pymatgen +numba==0.56.3 + # via sparse +numpy==1.23.4 + # via + # aflow + # ase + # contourpy + # dscribe + # matminer (setup.py) + # matplotlib + # numba + # pandas + # pymatgen + # pypif + # scikit-learn + # scipy + # sparse + # spglib +packaging==21.3 + # via matplotlib +palettable==3.3.0 + # via pymatgen +pandas==1.5.1 + # via + # matminer (setup.py) + # pymatgen +pillow==9.2.0 + # via matplotlib +plotly==5.11.0 + # via pymatgen +pybind11==2.10.0 + # via dscribe +pybtex==0.24.0 + # via + # emmet-core + # pymatgen +pycparser==2.21 + # via cffi +pydantic==1.10.2 + # via emmet-core +pyjwt[crypto]==2.6.0 + # via globus-sdk +pymatgen==2022.10.22 + # via + # emmet-core + # matminer (setup.py) + # mp-api +pymongo==4.3.2 + # via matminer (setup.py) +pyparsing==3.0.9 + # via + # httplib2 + # matplotlib + # packaging +pypif==2.1.2 + # via citrination-client +pyrsistent==0.18.1 + # via jsonschema +python-dateutil==2.8.2 + # via + # matplotlib + # pandas +pytz==2022.5 + # via pandas +pyyaml==6.0 + # via + # citrination-client + # pybtex +requests==2.28.1 + # via + # citrination-client + # globus-sdk + # matminer (setup.py) + # mdf-forge + # mdf-toolbox + # mp-api + # pymatgen +ruamel-yaml==0.17.21 + # via pymatgen +ruamel-yaml-clib==0.2.7 + # via ruamel-yaml +scikit-learn==1.1.3 + # via + # dscribe + # matminer (setup.py) +scipy==1.9.3 + # via + # ase + # dscribe + # pymatgen + # scikit-learn + # sparse +six==1.16.0 + # via + # aflow + # citrination-client + # latexcodec + # pybtex + # pypif + # python-dateutil +soupsieve==2.3.2.post1 + # via beautifulsoup4 +sparse==0.13.0 + # via dscribe +spglib==2.0.1 + # via + # emmet-core + # pymatgen +sympy==1.11.1 + # via + # matminer (setup.py) + # pymatgen +tabulate==0.9.0 + # via pymatgen +tenacity==8.1.0 + # via plotly +termcolor==2.0.1 + # via aflow +threadpoolctl==3.1.0 + # via scikit-learn +tqdm==4.64.1 + # via + # matminer (setup.py) + # mdf-forge + # pymatgen +typing-extensions==4.4.0 + # via + # emmet-core + # globus-sdk + # mp-api + # pydantic +ujson==5.5.0 + # via matminer (setup.py) +uncertainties==3.1.7 + # via pymatgen +urllib3==1.26.12 + # via requests + +# The following packages are considered to be unsafe in a requirements file: +# setuptools diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 000000000..1b03c9268 --- /dev/null +++ b/requirements.txt @@ -0,0 +1,151 @@ +# +# This file is autogenerated by pip-compile with python 3.9 +# To update, run: +# +# pip-compile +# +attrs==22.1.0 + # via jsonschema +certifi==2022.9.24 + # via requests +charset-normalizer==2.1.1 + # via requests +contourpy==1.0.5 + # via matplotlib +cycler==0.11.0 + # via matplotlib +dnspython==2.2.1 + # via pymongo +emmet-core==0.38.6 + # via mp-api +fonttools==4.38.0 + # via matplotlib +future==0.18.2 + # via + # matminer (setup.py) + # uncertainties +idna==3.4 + # via requests +joblib==1.2.0 + # via scikit-learn +jsonschema==4.16.0 + # via matminer (setup.py) +kiwisolver==1.4.4 + # via matplotlib +latexcodec==2.0.1 + # via pybtex +matplotlib==3.6.1 + # via pymatgen +monty==2022.9.9 + # via + # emmet-core + # matminer (setup.py) + # mp-api + # pymatgen +mp-api==0.29.3 + # via pymatgen +mpmath==1.2.1 + # via sympy +msgpack==1.0.4 + # via mp-api +networkx==2.8.7 + # via pymatgen +numpy==1.23.4 + # via + # contourpy + # matminer (setup.py) + # matplotlib + # pandas + # pymatgen + # scikit-learn + # scipy + # spglib +packaging==21.3 + # via matplotlib +palettable==3.3.0 + # via pymatgen +pandas==1.5.1 + # via + # matminer (setup.py) + # pymatgen +pillow==9.2.0 + # via matplotlib +plotly==5.11.0 + # via pymatgen +pybtex==0.24.0 + # via + # emmet-core + # pymatgen +pydantic==1.10.2 + # via emmet-core +pymatgen==2022.10.22 + # via + # emmet-core + # matminer (setup.py) + # mp-api +pymongo==4.3.2 + # via matminer (setup.py) +pyparsing==3.0.9 + # via + # matplotlib + # packaging +pyrsistent==0.18.1 + # via jsonschema +python-dateutil==2.8.2 + # via + # matplotlib + # pandas +pytz==2022.5 + # via pandas +pyyaml==6.0 + # via pybtex +requests==2.28.1 + # via + # matminer (setup.py) + # mp-api + # pymatgen +ruamel-yaml==0.17.21 + # via pymatgen +ruamel-yaml-clib==0.2.7 + # via ruamel-yaml +scikit-learn==1.1.3 + # via matminer (setup.py) +scipy==1.9.3 + # via + # pymatgen + # scikit-learn +six==1.16.0 + # via + # latexcodec + # pybtex + # python-dateutil +spglib==2.0.1 + # via + # emmet-core + # pymatgen +sympy==1.11.1 + # via + # matminer (setup.py) + # pymatgen +tabulate==0.9.0 + # via pymatgen +tenacity==8.1.0 + # via plotly +threadpoolctl==3.1.0 + # via scikit-learn +tqdm==4.64.1 + # via + # matminer (setup.py) + # pymatgen +typing-extensions==4.4.0 + # via + # emmet-core + # mp-api + # pydantic +uncertainties==3.1.7 + # via pymatgen +urllib3==1.26.12 + # via requests + +# The following packages are considered to be unsafe in a requirements file: +# setuptools