diff --git a/.github/workflows/testing-pinned.yaml b/.github/workflows/testing-pinned.yaml new file mode 100644 index 00000000..02fe779b --- /dev/null +++ b/.github/workflows/testing-pinned.yaml @@ -0,0 +1,44 @@ +name: testing-pinned + +on: + pull_request: + branches: + - main + paths-ignore: + - CHANGELOG.md + +concurrency: + group: ${{ github.workflow }}-${{ github.ref }} + cancel-in-progress: false + +jobs: + test: + strategy: + max-parallel: 6 + matrix: + # for most PRs, test the min and max supported python on every platform, test all python on ubuntu + python-version: ["3.10", "3.12","3.13"] + os: + - ubuntu-latest + - macos-latest + - macos-14 + - windows-latest + include: + - os: ubuntu-latest + python-version: "3.11" + runs-on: ${{ matrix.os }} + steps: + - uses: actions/checkout@v6 + - name: Setup Python + uses: actions/setup-python@v6 + with: + python-version: ${{ matrix.python-version }}${{ matrix.dev }} + - name: Install requirements + run: | + python -m pip install --upgrade pip + pip install -r requirements.txt + pip install -e . --no-deps + pip install src/pyEQL/pyEQL-phreeqc --no-deps + - name: Run tests + run: | + pytest -n auto --cov=src/pyEQL --cov-report=xml --dist=loadscope diff --git a/.github/workflows/testing.yaml b/.github/workflows/testing.yaml index 1a7f1bd2..9f2f7916 100644 --- a/.github/workflows/testing.yaml +++ b/.github/workflows/testing.yaml @@ -46,8 +46,6 @@ jobs: include: - os: ubuntu-latest python-version: "3.11" - - os: ubuntu-latest - python-version: "3.12" runs-on: ${{ matrix.os }} steps: - uses: actions/checkout@v6 @@ -60,6 +58,9 @@ jobs: python -m pip install --upgrade pip pip install -e ".[testing]" pip install src/pyEQL/pyEQL-phreeqc + - name: List installed requirements + run: | + pip freeze - name: Run tests run: | pytest -n auto --cov=src/pyEQL --cov-report=xml --dist=loadscope diff --git a/.github/workflows/upgrade_dependencies.yml b/.github/workflows/upgrade_dependencies.yml deleted file mode 100644 index 628e1895..00000000 --- a/.github/workflows/upgrade_dependencies.yml +++ /dev/null @@ -1,93 +0,0 @@ -# https://www.oddbird.net/2022/06/01/dependabot-single-pull-request/ -# https://github.com/materialsproject/MPContribs/blob/master/.github/workflows/upgrade-dependencies.yml -name: upgrade dependencies - -on: - workflow_dispatch: # Allow running on-demand - schedule: - # Runs on the 10th day of every month at 8:00 UTC (4:00 Eastern) - - cron: "0 8 10 * *" - -jobs: - upgrade: - name: ${{ matrix.package }} (${{ matrix.os }}/py${{ matrix.python-version }}) - runs-on: ${{ matrix.os }} - strategy: - matrix: - os: ["ubuntu-latest", "macos-latest", "windows-latest"] - package: ["."] - python-version: ["3.10", "3.11", "3.12"] - steps: - - uses: actions/checkout@v6 - with: - fetch-depth: 0 - - uses: actions/setup-python@v6 - with: - python-version: ${{ matrix.python-version }} - cache: "pip" - - name: Upgrade Python dependencies - shell: bash - run: | - python -m pip install --upgrade pip pip-tools - cd ${{ matrix.package }} - python -m piptools compile -q --upgrade --resolver=backtracking -o requirements/${{ matrix.os }}_py${{ matrix.python-version }}.txt - python -m piptools compile -q --upgrade --resolver=backtracking --all-extras -o requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt - - name: Detect changes - id: changes - shell: bash - run: | - #git diff-index HEAD ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}*.txt | awk '{print $4}' | sort -u - #sha1=$(git diff-index HEAD ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}*.txt | awk '{print $4}' | sort -u | head -n1) - #[[ $sha1 == "0000000000000000000000000000000000000000" ]] && git update-index --really-refresh ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}*.txt - echo "count=$(git diff-index HEAD ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}*.txt | wc -l | xargs)" >> $GITHUB_OUTPUT - echo "files=$(git ls-files --exclude-standard --others ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}*.txt | wc -l | xargs)" >> $GITHUB_OUTPUT - - name: commit & push changes - if: steps.changes.outputs.count > 0 || steps.changes.outputs.files > 0 - shell: bash - run: | - git config user.name github-actions - git config user.email github-actions@github.com - git add ${{ matrix.package }}/requirements - git commit -m "update dependencies for ${{ matrix.package }} (${{ matrix.os }}/py${{ matrix.python-version }})" - git push -f origin ${{ github.ref_name }}:auto-dependency-upgrades-${{ matrix.package }}-${{ matrix.os }}-py${{ matrix.python-version }} - - pull_request: - name: Merge all branches and open PR - runs-on: ubuntu-latest - needs: upgrade - steps: - - uses: actions/checkout@v6 - with: - fetch-depth: 0 - - name: detect auto-upgrade-dependency branches - id: changes - run: echo "count=$(git branch -r | grep auto-dependency-upgrades- | wc -l | xargs)" >> $GITHUB_OUTPUT - - name: merge all auto-dependency-upgrades branches - if: steps.changes.outputs.count > 0 - run: | - git config user.name github-actions - git config user.email github-actions@github.com - git checkout -b auto-dependency-upgrades - git branch -r | grep auto-dependency-upgrades- | xargs -I {} git merge {} - git rebase ${GITHUB_REF##*/} - git push -f origin auto-dependency-upgrades - git branch -r | grep auto-dependency-upgrades- | cut -d/ -f2 | xargs -I {} git push origin :{} - - name: Open pull request if needed - if: steps.changes.outputs.count > 0 - env: - GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} - # Only open a PR if the branch is not attached to an existing one - # note that this auto-created PR will not trigger the testing workflow, which - # is an intentional limitation imposed by GitHub. See - # https://github.com/peter-evans/create-pull-request/blob/main/docs/concepts-guidelines.md#triggering-further-workflow-runs - # The simplest workaround is to close and immediately re-open the Auto PR - run: | - PR=$(gh pr list --head auto-dependency-upgrades --json number -q '.[0].number') - if [ -z $PR ]; then - gh pr create \ - --head auto-dependency-upgrades \ - --title "Automated dependency upgrades" \ - --body "Full log: https://github.com/${{ github.repository }}/actions/runs/${{ github.run_id }}" - else - echo "Pull request already exists, won't create a new one." - fi diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 00000000..b4a83c4b --- /dev/null +++ b/requirements.txt @@ -0,0 +1,127 @@ +aioitertools==0.13.0 +alabaster==1.0.0 +annotated-types==0.7.0 +attrs==25.4.0 +babel==2.17.0 +bcrypt==5.0.0 +bibtexparser==1.4.3 +black==25.12.0 +boto3==1.42.28 +botocore==1.42.28 +certifi==2026.1.4 +cffi==2.0.0 +cfgv==3.5.0 +charset-normalizer==3.4.4 +click==8.3.1 +coverage==7.13.1 +cryptography==46.0.3 +cycler==0.12.1 +distlib==0.4.0 +dnspython==2.8.0 +docutils==0.21.2 +execnet==2.1.2 +filelock==3.20.3 +flexcache==0.3 +flexparser==0.4 +fonttools==4.61.1 +iapws==1.5.4 +identify==2.6.16 +idna==3.11 +imagesize==1.4.1 +iniconfig==2.3.0 +invoke==2.2.1 +Jinja2==3.1.6 +jmespath==1.0.1 +joblib==1.5.3 +jsonlines==4.0.0 +jsonschema==4.26.0 +jsonschema-specifications==2025.9.1 +kiwisolver==1.4.9 +librt==0.7.8 +linkify-it-py==2.0.3 +maggma==0.72.0 +markdown-it-py==3.0.0 +MarkupSafe==3.0.3 +matplotlib==3.10.8 +mdit-py-plugins==0.5.0 +mdurl==0.1.2 +mongomock==4.3.0 +monty==2025.3.3 +mpmath==1.3.0 +msgpack==1.1.2 +mypy==1.19.1 +mypy_extensions==1.1.0 +myst-parser==4.0.1 +narwhals==2.15.0 +networkx==3.4.2 +nodeenv==1.10.0 +numpy==2.2.6 +orjson==3.11.5 +packaging==25.0 +palettable==3.3.3 +pandas==2.3.3 +paramiko==4.0.0 +pathspec==1.0.3 +periodictable==2.0.2 +phreeqpython==1.5.7 +pillow==12.1.0 +Pint==0.24.4 +platformdirs==4.5.1 +plotly==6.5.2 +pluggy==1.6.0 +pre_commit==4.5.1 +py==1.11.0 +pycparser==2.23 +pydantic==2.12.5 +pydantic-settings==2.12.0 +pydantic_core==2.41.5 +pydash==8.0.5 +Pygments==2.19.2 +pymatgen==2025.10.7 +pymongo==4.10.1 +PyNaCl==1.6.2 +pyparsing==3.3.1 +pytest==9.0.2 +pytest-cov==7.0.0 +pytest-xdist==3.8.0 +python-dateutil==2.9.0.post0 +python-dotenv==1.2.1 +pytokens==0.3.0 +pytz==2025.2 +PyYAML==6.0.3 +pyzmq==27.1.0 +referencing==0.37.0 +requests==2.32.5 +rich==14.2.0 +roman-numerals==4.1.0 +rpds-py==0.30.0 +ruamel.yaml==0.19.1 +ruff==0.14.11 +s3transfer==0.16.0 +scipy==1.15.3 +sentinels==1.1.1 +setuptools==80.9.0 +six==1.17.0 +snowballstemmer==3.0.1 +spglib==2.7.0 +Sphinx==8.1.3 +sphinx_rtd_theme==3.1.0 +sphinxcontrib-applehelp==2.0.0 +sphinxcontrib-devhelp==2.0.0 +sphinxcontrib-htmlhelp==2.1.0 +sphinxcontrib-jquery==4.1 +sphinxcontrib-jsmath==1.0.1 +sphinxcontrib-qthelp==2.0.0 +sphinxcontrib-serializinghtml==2.0.0 +sshtunnel==0.4.0 +sympy==1.14.0 +tabulate==0.9.0 +tox==3.28.0 +tqdm==4.67.1 +typing-inspection==0.4.2 +typing_extensions==4.15.0 +tzdata==2025.3 +uc-micro-py==1.0.3 +uncertainties==3.2.4 +urllib3==2.6.3 +virtualenv==20.36.1 diff --git a/requirements/macos-latest_py3.10.txt b/requirements/macos-latest_py3.10.txt deleted file mode 100644 index aa21565c..00000000 --- a/requirements/macos-latest_py3.10.txt +++ /dev/null @@ -1,232 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.10 -# by the following command: -# -# pip-compile --output-file=requirements/macos-latest_py3.10.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -contourpy==1.3.2 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.4.2 - # via pymatgen -numpy==2.2.6 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.24.4 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.15.3 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/macos-latest_py3.10_extras.txt b/requirements/macos-latest_py3.10_extras.txt deleted file mode 100644 index fd782c37..00000000 --- a/requirements/macos-latest_py3.10_extras.txt +++ /dev/null @@ -1,382 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.10 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/macos-latest_py3.10_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -contourpy==1.3.2 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -exceptiongroup==1.3.0 - # via pytest -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.4.2 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.2.6 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.24.4 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.15.3 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.1.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tomli==2.2.1 - # via - # black - # coverage - # mypy - # pytest - # sphinx - # tox -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # black - # exceptiongroup - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection - # virtualenv -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/macos-latest_py3.11.txt b/requirements/macos-latest_py3.11.txt deleted file mode 100644 index a29da13c..00000000 --- a/requirements/macos-latest_py3.11.txt +++ /dev/null @@ -1,232 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.11 -# by the following command: -# -# pip-compile --output-file=requirements/macos-latest_py3.11.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -contourpy==1.3.3 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/macos-latest_py3.11_extras.txt b/requirements/macos-latest_py3.11_extras.txt deleted file mode 100644 index 8e45f58e..00000000 --- a/requirements/macos-latest_py3.11_extras.txt +++ /dev/null @@ -1,371 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.11 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/macos-latest_py3.11_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -contourpy==1.3.3 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -roman-numerals-py==3.1.0 - # via sphinx -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.2.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/macos-latest_py3.12.txt b/requirements/macos-latest_py3.12.txt deleted file mode 100644 index 9ddd3180..00000000 --- a/requirements/macos-latest_py3.12.txt +++ /dev/null @@ -1,232 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.12 -# by the following command: -# -# pip-compile --output-file=requirements/macos-latest_py3.12.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -contourpy==1.3.3 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/macos-latest_py3.12_extras.txt b/requirements/macos-latest_py3.12_extras.txt deleted file mode 100644 index e859a529..00000000 --- a/requirements/macos-latest_py3.12_extras.txt +++ /dev/null @@ -1,371 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.12 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/macos-latest_py3.12_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -contourpy==1.3.3 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -roman-numerals-py==3.1.0 - # via sphinx -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.2.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/macos-latest_py3.9.txt b/requirements/macos-latest_py3.9.txt deleted file mode 100644 index 98880df6..00000000 --- a/requirements/macos-latest_py3.9.txt +++ /dev/null @@ -1,231 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.9 -# by the following command: -# -# pip-compile --output-file=requirements/macos-latest_py3.9.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -appdirs==1.4.4 - # via pint -attrs==24.2.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.2.0 - # via paramiko -boto3==1.35.15 - # via maggma -botocore==1.35.15 - # via - # boto3 - # s3transfer -certifi==2024.8.30 - # via requests -cffi==1.17.1 - # via - # cryptography - # pynacl -charset-normalizer==3.3.2 - # via requests -contourpy==1.3.0 - # via matplotlib -cryptography==43.0.1 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.6.1 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.3.1 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.8 - # via requests -importlib-resources==6.4.5 - # via - # matplotlib - # spglib -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.4.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.23.0 - # via maggma -jsonschema-specifications==2023.12.1 - # via jsonschema -kiwisolver==1.4.7 - # via matplotlib -latexcodec==3.0.0 - # via pybtex -maggma==0.69.3 - # via pyEQL (setup.py) -matplotlib==3.9.2 - # via pymatgen -mongomock==4.1.2 - # via maggma -monty==2024.7.30 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.0 - # via maggma -networkx==3.2.1 - # via pymatgen -numpy==1.26.4 - # via - # contourpy - # maggma - # matplotlib - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.10.7 - # via maggma -packaging==24.1 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.2.2 - # via - # maggma - # pymatgen -paramiko==3.4.1 - # via sshtunnel -periodictable==1.7.1 - # via phreeqpython -phreeqpython==1.5.2 - # via pyEQL (setup.py) -pillow==10.4.0 - # via matplotlib -pint==0.24.3 - # via pyEQL (setup.py) -plotly==5.24.0 - # via pymatgen -pybtex==0.24.0 - # via pymatgen -pycparser==2.22 - # via cffi -pydantic==2.9.1 - # via - # maggma - # pydantic-settings -pydantic-core==2.23.3 - # via pydantic -pydantic-settings==2.4.0 - # via maggma -pydash==8.0.3 - # via maggma -pymatgen==2024.5.1 - # via pyEQL (setup.py) -pymongo==4.8.0 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.1.4 - # via - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.0.1 - # via pydantic-settings -pytz==2024.1 - # via pandas -pyyaml==6.0.2 - # via pybtex -pyzmq==26.2.0 - # via maggma -referencing==0.35.1 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.4 - # via pymatgen -rpds-py==0.20.0 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.6 - # via - # maggma - # pymatgen -ruamel-yaml-clib==0.2.8 - # via ruamel-yaml -s3transfer==0.10.2 - # via boto3 -scipy==1.13.1 - # via - # iapws - # phreeqpython - # pyEQL (setup.py) - # pymatgen -sentinels==1.0.0 - # via mongomock -six==1.16.0 - # via - # pybtex - # python-dateutil -spglib==2.5.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.13.2 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tenacity==9.0.0 - # via plotly -tqdm==4.66.5 - # via - # maggma - # pymatgen -typing-extensions==4.12.2 - # via - # aioitertools - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # spglib -tzdata==2024.1 - # via pandas -uncertainties==3.2.2 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -zipp==3.20.1 - # via importlib-resources - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/macos-latest_py3.9_extras.txt b/requirements/macos-latest_py3.9_extras.txt deleted file mode 100644 index c4392048..00000000 --- a/requirements/macos-latest_py3.9_extras.txt +++ /dev/null @@ -1,378 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.9 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/macos-latest_py3.9_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==0.7.16 - # via sphinx -annotated-types==0.7.0 - # via pydantic -appdirs==1.4.4 - # via pint -attrs==24.2.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.16.0 - # via sphinx -bcrypt==4.2.0 - # via paramiko -black==24.8.0 - # via pyEQL (setup.py) -boto3==1.35.15 - # via maggma -botocore==1.35.15 - # via - # boto3 - # s3transfer -certifi==2024.8.30 - # via requests -cffi==1.17.1 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.3.2 - # via requests -click==8.1.7 - # via black -contourpy==1.3.0 - # via matplotlib -coverage[toml]==7.6.1 - # via pytest-cov -cryptography==43.0.1 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.3.8 - # via virtualenv -dnspython==2.6.1 - # via - # maggma - # pymongo -docutils==0.20.1 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -exceptiongroup==1.2.2 - # via pytest -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.3.1 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.0 - # via pre-commit -idna==3.8 - # via requests -imagesize==1.4.1 - # via sphinx -importlib-metadata==8.4.0 - # via sphinx -importlib-resources==6.4.5 - # via - # matplotlib - # spglib -iniconfig==2.0.0 - # via pytest -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.4.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.23.0 - # via maggma -jsonschema-specifications==2023.12.1 - # via jsonschema -kiwisolver==1.4.7 - # via matplotlib -latexcodec==3.0.0 - # via pybtex -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.69.3 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==2.1.5 - # via jinja2 -matplotlib==3.9.2 - # via pymatgen -mdit-py-plugins==0.4.2 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.1.2 - # via maggma -monty==2024.7.30 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.0 - # via maggma -mypy==1.11.2 - # via pyEQL (setup.py) -mypy-extensions==1.0.0 - # via - # black - # mypy -myst-parser[linkify]==3.0.1 - # via pyEQL (setup.py) -networkx==3.2.1 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==1.26.4 - # via - # contourpy - # maggma - # matplotlib - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.10.7 - # via maggma -packaging==24.1 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.2.2 - # via - # maggma - # pymatgen -paramiko==3.4.1 - # via sshtunnel -pathspec==0.12.1 - # via black -periodictable==1.7.1 - # via phreeqpython -phreeqpython==1.5.2 - # via pyEQL (setup.py) -pillow==10.4.0 - # via matplotlib -pint==0.24.3 - # via pyEQL (setup.py) -platformdirs==4.3.2 - # via - # black - # virtualenv -plotly==5.24.0 - # via pymatgen -pluggy==1.5.0 - # via - # pytest - # tox -pre-commit==3.8.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pybtex==0.24.0 - # via pymatgen -pycparser==2.22 - # via cffi -pydantic==2.9.1 - # via - # maggma - # pydantic-settings -pydantic-core==2.23.3 - # via pydantic -pydantic-settings==2.4.0 - # via maggma -pydash==8.0.3 - # via maggma -pygments==2.18.0 - # via - # rich - # sphinx -pymatgen==2024.5.1 - # via pyEQL (setup.py) -pymongo==4.8.0 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.1.4 - # via - # matplotlib - # periodictable -pytest==8.3.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==5.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.6.1 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.0.1 - # via pydantic-settings -pytz==2024.1 - # via pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit - # pybtex -pyzmq==26.2.0 - # via maggma -referencing==0.35.1 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.4 - # via - # pymatgen - # sphinx -rich==13.8.0 - # via pyEQL (setup.py) -rpds-py==0.20.0 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.6 - # via - # maggma - # pymatgen -ruamel-yaml-clib==0.2.8 - # via ruamel-yaml -ruff==0.6.4 - # via pyEQL (setup.py) -s3transfer==0.10.2 - # via boto3 -scipy==1.13.1 - # via - # iapws - # phreeqpython - # pyEQL (setup.py) - # pymatgen -sentinels==1.0.0 - # via mongomock -six==1.16.0 - # via - # pybtex - # python-dateutil - # tox -snowballstemmer==2.2.0 - # via sphinx -spglib==2.5.0 - # via pymatgen -sphinx==7.4.7 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==2.0.0 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.13.2 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tenacity==9.0.0 - # via plotly -tomli==2.0.1 - # via - # black - # coverage - # mypy - # pytest - # sphinx - # tox -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.66.5 - # via - # maggma - # pymatgen -typing-extensions==4.12.2 - # via - # aioitertools - # black - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # spglib -tzdata==2024.1 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.2 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox -zipp==3.20.1 - # via - # importlib-metadata - # importlib-resources - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.10.txt b/requirements/ubuntu-latest_py3.10.txt deleted file mode 100644 index b6346a00..00000000 --- a/requirements/ubuntu-latest_py3.10.txt +++ /dev/null @@ -1,232 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.10 -# by the following command: -# -# pip-compile --output-file=requirements/ubuntu-latest_py3.10.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -contourpy==1.3.2 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.4.2 - # via pymatgen -numpy==2.2.6 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.24.4 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.15.3 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.10_extras.txt b/requirements/ubuntu-latest_py3.10_extras.txt deleted file mode 100644 index b6d19c08..00000000 --- a/requirements/ubuntu-latest_py3.10_extras.txt +++ /dev/null @@ -1,382 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.10 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.10_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -contourpy==1.3.2 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -exceptiongroup==1.3.0 - # via pytest -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.4.2 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.2.6 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.24.4 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.15.3 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.1.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tomli==2.2.1 - # via - # black - # coverage - # mypy - # pytest - # sphinx - # tox -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # black - # exceptiongroup - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection - # virtualenv -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.11.txt b/requirements/ubuntu-latest_py3.11.txt deleted file mode 100644 index eeb64a6d..00000000 --- a/requirements/ubuntu-latest_py3.11.txt +++ /dev/null @@ -1,232 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.11 -# by the following command: -# -# pip-compile --output-file=requirements/ubuntu-latest_py3.11.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -contourpy==1.3.3 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.11_extras.txt b/requirements/ubuntu-latest_py3.11_extras.txt deleted file mode 100644 index cacb9a5c..00000000 --- a/requirements/ubuntu-latest_py3.11_extras.txt +++ /dev/null @@ -1,371 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.11 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.11_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -contourpy==1.3.3 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -roman-numerals-py==3.1.0 - # via sphinx -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.2.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.12.txt b/requirements/ubuntu-latest_py3.12.txt deleted file mode 100644 index 9cb8de7c..00000000 --- a/requirements/ubuntu-latest_py3.12.txt +++ /dev/null @@ -1,232 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.12 -# by the following command: -# -# pip-compile --output-file=requirements/ubuntu-latest_py3.12.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -contourpy==1.3.3 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.12_extras.txt b/requirements/ubuntu-latest_py3.12_extras.txt deleted file mode 100644 index 35ff0166..00000000 --- a/requirements/ubuntu-latest_py3.12_extras.txt +++ /dev/null @@ -1,371 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.12 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.12_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -contourpy==1.3.3 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -roman-numerals-py==3.1.0 - # via sphinx -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.2.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.9.txt b/requirements/ubuntu-latest_py3.9.txt deleted file mode 100644 index f28abecb..00000000 --- a/requirements/ubuntu-latest_py3.9.txt +++ /dev/null @@ -1,231 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.9 -# by the following command: -# -# pip-compile --output-file=requirements/ubuntu-latest_py3.9.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -appdirs==1.4.4 - # via pint -attrs==24.2.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.2.0 - # via paramiko -boto3==1.35.15 - # via maggma -botocore==1.35.15 - # via - # boto3 - # s3transfer -certifi==2024.8.30 - # via requests -cffi==1.17.1 - # via - # cryptography - # pynacl -charset-normalizer==3.3.2 - # via requests -contourpy==1.3.0 - # via matplotlib -cryptography==43.0.1 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.6.1 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.3.1 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.8 - # via requests -importlib-resources==6.4.5 - # via - # matplotlib - # spglib -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.4.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.23.0 - # via maggma -jsonschema-specifications==2023.12.1 - # via jsonschema -kiwisolver==1.4.7 - # via matplotlib -latexcodec==3.0.0 - # via pybtex -maggma==0.69.3 - # via pyEQL (setup.py) -matplotlib==3.9.2 - # via pymatgen -mongomock==4.1.2 - # via maggma -monty==2024.7.30 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.0 - # via maggma -networkx==3.2.1 - # via pymatgen -numpy==1.26.4 - # via - # contourpy - # maggma - # matplotlib - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.10.7 - # via maggma -packaging==24.1 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.2.2 - # via - # maggma - # pymatgen -paramiko==3.4.1 - # via sshtunnel -periodictable==1.7.1 - # via phreeqpython -phreeqpython==1.5.2 - # via pyEQL (setup.py) -pillow==10.4.0 - # via matplotlib -pint==0.24.3 - # via pyEQL (setup.py) -plotly==5.24.0 - # via pymatgen -pybtex==0.24.0 - # via pymatgen -pycparser==2.22 - # via cffi -pydantic==2.9.1 - # via - # maggma - # pydantic-settings -pydantic-core==2.23.3 - # via pydantic -pydantic-settings==2.4.0 - # via maggma -pydash==8.0.3 - # via maggma -pymatgen==2024.5.1 - # via pyEQL (setup.py) -pymongo==4.8.0 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.1.4 - # via - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.0.1 - # via pydantic-settings -pytz==2024.1 - # via pandas -pyyaml==6.0.2 - # via pybtex -pyzmq==26.2.0 - # via maggma -referencing==0.35.1 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.4 - # via pymatgen -rpds-py==0.20.0 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.6 - # via - # maggma - # pymatgen -ruamel-yaml-clib==0.2.8 - # via ruamel-yaml -s3transfer==0.10.2 - # via boto3 -scipy==1.13.1 - # via - # iapws - # phreeqpython - # pyEQL (setup.py) - # pymatgen -sentinels==1.0.0 - # via mongomock -six==1.16.0 - # via - # pybtex - # python-dateutil -spglib==2.5.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.13.2 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tenacity==9.0.0 - # via plotly -tqdm==4.66.5 - # via - # maggma - # pymatgen -typing-extensions==4.12.2 - # via - # aioitertools - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # spglib -tzdata==2024.1 - # via pandas -uncertainties==3.2.2 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -zipp==3.20.1 - # via importlib-resources - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/ubuntu-latest_py3.9_extras.txt b/requirements/ubuntu-latest_py3.9_extras.txt deleted file mode 100644 index c644d523..00000000 --- a/requirements/ubuntu-latest_py3.9_extras.txt +++ /dev/null @@ -1,378 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.9 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.9_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==0.7.16 - # via sphinx -annotated-types==0.7.0 - # via pydantic -appdirs==1.4.4 - # via pint -attrs==24.2.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.16.0 - # via sphinx -bcrypt==4.2.0 - # via paramiko -black==24.8.0 - # via pyEQL (setup.py) -boto3==1.35.15 - # via maggma -botocore==1.35.15 - # via - # boto3 - # s3transfer -certifi==2024.8.30 - # via requests -cffi==1.17.1 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.3.2 - # via requests -click==8.1.7 - # via black -contourpy==1.3.0 - # via matplotlib -coverage[toml]==7.6.1 - # via pytest-cov -cryptography==43.0.1 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.3.8 - # via virtualenv -dnspython==2.6.1 - # via - # maggma - # pymongo -docutils==0.20.1 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -exceptiongroup==1.2.2 - # via pytest -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.3.1 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.0 - # via pre-commit -idna==3.8 - # via requests -imagesize==1.4.1 - # via sphinx -importlib-metadata==8.4.0 - # via sphinx -importlib-resources==6.4.5 - # via - # matplotlib - # spglib -iniconfig==2.0.0 - # via pytest -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.4.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.23.0 - # via maggma -jsonschema-specifications==2023.12.1 - # via jsonschema -kiwisolver==1.4.7 - # via matplotlib -latexcodec==3.0.0 - # via pybtex -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.69.3 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==2.1.5 - # via jinja2 -matplotlib==3.9.2 - # via pymatgen -mdit-py-plugins==0.4.2 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.1.2 - # via maggma -monty==2024.7.30 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.0 - # via maggma -mypy==1.11.2 - # via pyEQL (setup.py) -mypy-extensions==1.0.0 - # via - # black - # mypy -myst-parser[linkify]==3.0.1 - # via pyEQL (setup.py) -networkx==3.2.1 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==1.26.4 - # via - # contourpy - # maggma - # matplotlib - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.10.7 - # via maggma -packaging==24.1 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.2.2 - # via - # maggma - # pymatgen -paramiko==3.4.1 - # via sshtunnel -pathspec==0.12.1 - # via black -periodictable==1.7.1 - # via phreeqpython -phreeqpython==1.5.2 - # via pyEQL (setup.py) -pillow==10.4.0 - # via matplotlib -pint==0.24.3 - # via pyEQL (setup.py) -platformdirs==4.3.2 - # via - # black - # virtualenv -plotly==5.24.0 - # via pymatgen -pluggy==1.5.0 - # via - # pytest - # tox -pre-commit==3.8.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pybtex==0.24.0 - # via pymatgen -pycparser==2.22 - # via cffi -pydantic==2.9.1 - # via - # maggma - # pydantic-settings -pydantic-core==2.23.3 - # via pydantic -pydantic-settings==2.4.0 - # via maggma -pydash==8.0.3 - # via maggma -pygments==2.18.0 - # via - # rich - # sphinx -pymatgen==2024.5.1 - # via pyEQL (setup.py) -pymongo==4.8.0 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.1.4 - # via - # matplotlib - # periodictable -pytest==8.3.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==5.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.6.1 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.0.1 - # via pydantic-settings -pytz==2024.1 - # via pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit - # pybtex -pyzmq==26.2.0 - # via maggma -referencing==0.35.1 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.4 - # via - # pymatgen - # sphinx -rich==13.8.0 - # via pyEQL (setup.py) -rpds-py==0.20.0 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.6 - # via - # maggma - # pymatgen -ruamel-yaml-clib==0.2.8 - # via ruamel-yaml -ruff==0.6.4 - # via pyEQL (setup.py) -s3transfer==0.10.2 - # via boto3 -scipy==1.13.1 - # via - # iapws - # phreeqpython - # pyEQL (setup.py) - # pymatgen -sentinels==1.0.0 - # via mongomock -six==1.16.0 - # via - # pybtex - # python-dateutil - # tox -snowballstemmer==2.2.0 - # via sphinx -spglib==2.5.0 - # via pymatgen -sphinx==7.4.7 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==2.0.0 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.13.2 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tenacity==9.0.0 - # via plotly -tomli==2.0.1 - # via - # black - # coverage - # mypy - # pytest - # sphinx - # tox -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.66.5 - # via - # maggma - # pymatgen -typing-extensions==4.12.2 - # via - # aioitertools - # black - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # spglib -tzdata==2024.1 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.2 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox -zipp==3.20.1 - # via - # importlib-metadata - # importlib-resources - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.10.txt b/requirements/windows-latest_py3.10.txt deleted file mode 100644 index c0c879c5..00000000 --- a/requirements/windows-latest_py3.10.txt +++ /dev/null @@ -1,234 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.10 -# by the following command: -# -# pip-compile --output-file=requirements/windows-latest_py3.10.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -colorama==0.4.6 - # via tqdm -contourpy==1.3.2 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.4.2 - # via pymatgen -numpy==2.2.6 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.24.4 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.15.3 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.10_extras.txt b/requirements/windows-latest_py3.10_extras.txt deleted file mode 100644 index 7037afd2..00000000 --- a/requirements/windows-latest_py3.10_extras.txt +++ /dev/null @@ -1,389 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.10 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/windows-latest_py3.10_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -colorama==0.4.6 - # via - # click - # pytest - # sphinx - # tox - # tqdm -contourpy==1.3.2 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -exceptiongroup==1.3.0 - # via pytest -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.4.2 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.2.6 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.24.4 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.15.3 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.1.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tomli==2.2.1 - # via - # black - # coverage - # mypy - # pytest - # sphinx - # tox -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # black - # exceptiongroup - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection - # virtualenv -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.11.txt b/requirements/windows-latest_py3.11.txt deleted file mode 100644 index e4fcdc20..00000000 --- a/requirements/windows-latest_py3.11.txt +++ /dev/null @@ -1,234 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.11 -# by the following command: -# -# pip-compile --output-file=requirements/windows-latest_py3.11.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -colorama==0.4.6 - # via tqdm -contourpy==1.3.3 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.11_extras.txt b/requirements/windows-latest_py3.11_extras.txt deleted file mode 100644 index 5514130f..00000000 --- a/requirements/windows-latest_py3.11_extras.txt +++ /dev/null @@ -1,378 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.11 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/windows-latest_py3.11_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -colorama==0.4.6 - # via - # click - # pytest - # sphinx - # tox - # tqdm -contourpy==1.3.3 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -roman-numerals-py==3.1.0 - # via sphinx -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.2.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.12.txt b/requirements/windows-latest_py3.12.txt deleted file mode 100644 index 1d4eb3b9..00000000 --- a/requirements/windows-latest_py3.12.txt +++ /dev/null @@ -1,234 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.12 -# by the following command: -# -# pip-compile --output-file=requirements/windows-latest_py3.12.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -charset-normalizer==3.4.3 - # via requests -colorama==0.4.6 - # via tqdm -contourpy==1.3.3 - # via matplotlib -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.8.0 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.10 - # via requests -invoke==2.2.0 - # via paramiko -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -maggma==0.72.0 - # via pyEQL (setup.py) -matplotlib==3.10.6 - # via pymatgen -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via pint -plotly==6.3.0 - # via pymatgen -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via pymatgen -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via python-dateutil -spglib==2.6.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.12_extras.txt b/requirements/windows-latest_py3.12_extras.txt deleted file mode 100644 index eaf173b8..00000000 --- a/requirements/windows-latest_py3.12_extras.txt +++ /dev/null @@ -1,378 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.12 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/windows-latest_py3.12_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==1.0.0 - # via sphinx -annotated-types==0.7.0 - # via pydantic -attrs==25.3.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.17.0 - # via sphinx -bcrypt==4.3.0 - # via paramiko -bibtexparser==1.4.3 - # via pymatgen -black==25.1.0 - # via pyEQL (setup.py) -boto3==1.40.27 - # via maggma -botocore==1.40.27 - # via - # boto3 - # s3transfer -certifi==2025.8.3 - # via requests -cffi==2.0.0 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.4.3 - # via requests -click==8.2.1 - # via black -colorama==0.4.6 - # via - # click - # pytest - # sphinx - # tox - # tqdm -contourpy==1.3.3 - # via matplotlib -coverage[toml]==7.10.6 - # via pytest-cov -cryptography==45.0.7 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.4.0 - # via virtualenv -dnspython==2.8.0 - # via - # maggma - # pymongo -docutils==0.21.2 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.4 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.14 - # via pre-commit -idna==3.10 - # via requests -imagesize==1.4.1 - # via sphinx -iniconfig==2.1.0 - # via pytest -invoke==2.2.0 - # via paramiko -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.5.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.25.1 - # via maggma -jsonschema-specifications==2025.9.1 - # via jsonschema -kiwisolver==1.4.9 - # via matplotlib -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.72.0 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==3.0.2 - # via jinja2 -matplotlib==3.10.6 - # via pymatgen -mdit-py-plugins==0.5.0 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.3.0 - # via maggma -monty==2025.3.3 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.1 - # via maggma -mypy==1.17.1 - # via pyEQL (setup.py) -mypy-extensions==1.1.0 - # via - # black - # mypy -myst-parser[linkify]==4.0.1 - # via pyEQL (setup.py) -narwhals==2.4.0 - # via plotly -networkx==3.5 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==2.3.3 - # via - # contourpy - # maggma - # matplotlib - # monty - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.11.3 - # via - # maggma - # pymatgen -packaging==25.0 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.3.2 - # via - # maggma - # pymatgen -paramiko==4.0.0 - # via sshtunnel -pathspec==0.12.1 - # via - # black - # mypy -periodictable==2.0.2 - # via phreeqpython -phreeqpython==1.5.5 - # via pyEQL (setup.py) -pillow==11.3.0 - # via matplotlib -pint==0.25 - # via pyEQL (setup.py) -platformdirs==4.4.0 - # via - # black - # pint - # virtualenv -plotly==6.3.0 - # via pymatgen -pluggy==1.6.0 - # via - # pytest - # pytest-cov - # tox -pre-commit==4.3.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pycparser==2.23 - # via cffi -pydantic==2.11.7 - # via - # maggma - # pydantic-settings -pydantic-core==2.33.2 - # via pydantic -pydantic-settings==2.10.1 - # via maggma -pydash==8.0.5 - # via maggma -pygments==2.19.2 - # via - # pytest - # rich - # sphinx -pymatgen==2025.6.14 - # via pyEQL (setup.py) -pymongo==4.10.1 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.2.3 - # via - # bibtexparser - # matplotlib - # periodictable -pytest==8.4.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==7.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.8.0 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.1.1 - # via pydantic-settings -pytz==2025.2 - # via - # mongomock - # pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit -pyzmq==27.1.0 - # via maggma -referencing==0.36.2 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.5 - # via - # pymatgen - # sphinx -rich==14.1.0 - # via pyEQL (setup.py) -roman-numerals-py==3.1.0 - # via sphinx -rpds-py==0.27.1 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.15 - # via - # maggma - # monty - # pymatgen -ruamel-yaml-clib==0.2.12 - # via ruamel-yaml -ruff==0.12.12 - # via pyEQL (setup.py) -s3transfer==0.14.0 - # via boto3 -scipy==1.16.1 - # via - # iapws - # pyEQL (setup.py) - # pymatgen -sentinels==1.1.1 - # via mongomock -six==1.17.0 - # via - # python-dateutil - # tox -snowballstemmer==3.0.1 - # via sphinx -spglib==2.6.0 - # via pymatgen -sphinx==8.2.3 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==3.0.2 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.14.0 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.67.1 - # via - # maggma - # pymatgen -typing-extensions==4.15.0 - # via - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # referencing - # spglib - # typing-inspection -typing-inspection==0.4.1 - # via - # pydantic - # pydantic-settings -tzdata==2025.2 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.3 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.9.txt b/requirements/windows-latest_py3.9.txt deleted file mode 100644 index d59a5b97..00000000 --- a/requirements/windows-latest_py3.9.txt +++ /dev/null @@ -1,233 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.9 -# by the following command: -# -# pip-compile --output-file=requirements/windows-latest_py3.9.txt -# -aioitertools==0.12.0 - # via maggma -annotated-types==0.7.0 - # via pydantic -appdirs==1.4.4 - # via pint -attrs==24.2.0 - # via - # jsonlines - # jsonschema - # referencing -bcrypt==4.2.0 - # via paramiko -boto3==1.35.15 - # via maggma -botocore==1.35.15 - # via - # boto3 - # s3transfer -certifi==2024.8.30 - # via requests -cffi==1.17.1 - # via - # cryptography - # pynacl -charset-normalizer==3.3.2 - # via requests -colorama==0.4.6 - # via tqdm -contourpy==1.3.0 - # via matplotlib -cryptography==43.0.1 - # via paramiko -cycler==0.12.1 - # via matplotlib -dnspython==2.6.1 - # via - # maggma - # pymongo -flexcache==0.3 - # via pint -flexparser==0.3.1 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -idna==3.8 - # via requests -importlib-resources==6.4.5 - # via - # matplotlib - # spglib -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.4.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.23.0 - # via maggma -jsonschema-specifications==2023.12.1 - # via jsonschema -kiwisolver==1.4.7 - # via matplotlib -latexcodec==3.0.0 - # via pybtex -maggma==0.69.3 - # via pyEQL (setup.py) -matplotlib==3.9.2 - # via pymatgen -mongomock==4.1.2 - # via maggma -monty==2024.7.30 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.0 - # via maggma -networkx==3.2.1 - # via pymatgen -numpy==1.26.4 - # via - # contourpy - # maggma - # matplotlib - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.10.7 - # via maggma -packaging==24.1 - # via - # matplotlib - # mongomock - # plotly -palettable==3.3.3 - # via pymatgen -pandas==2.2.2 - # via - # maggma - # pymatgen -paramiko==3.4.1 - # via sshtunnel -periodictable==1.7.1 - # via phreeqpython -phreeqpython==1.5.2 - # via pyEQL (setup.py) -pillow==10.4.0 - # via matplotlib -pint==0.24.3 - # via pyEQL (setup.py) -plotly==5.24.0 - # via pymatgen -pybtex==0.24.0 - # via pymatgen -pycparser==2.22 - # via cffi -pydantic==2.9.1 - # via - # maggma - # pydantic-settings -pydantic-core==2.23.3 - # via pydantic -pydantic-settings==2.4.0 - # via maggma -pydash==8.0.3 - # via maggma -pymatgen==2024.5.1 - # via pyEQL (setup.py) -pymongo==4.8.0 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.1.4 - # via - # matplotlib - # periodictable -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.0.1 - # via pydantic-settings -pytz==2024.1 - # via pandas -pyyaml==6.0.2 - # via pybtex -pyzmq==26.2.0 - # via maggma -referencing==0.35.1 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.4 - # via pymatgen -rpds-py==0.20.0 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.6 - # via - # maggma - # pymatgen -ruamel-yaml-clib==0.2.8 - # via ruamel-yaml -s3transfer==0.10.2 - # via boto3 -scipy==1.13.1 - # via - # iapws - # phreeqpython - # pyEQL (setup.py) - # pymatgen -sentinels==1.0.0 - # via mongomock -six==1.16.0 - # via - # pybtex - # python-dateutil -spglib==2.5.0 - # via pymatgen -sshtunnel==0.4.0 - # via maggma -sympy==1.13.2 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tenacity==9.0.0 - # via plotly -tqdm==4.66.5 - # via - # maggma - # pymatgen -typing-extensions==4.12.2 - # via - # aioitertools - # flexcache - # flexparser - # pint - # pydantic - # pydantic-core - # pydash - # spglib -tzdata==2024.1 - # via pandas -uncertainties==3.2.2 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -zipp==3.20.1 - # via importlib-resources - -# The following packages are considered to be unsafe in a requirements file: -# setuptools diff --git a/requirements/windows-latest_py3.9_extras.txt b/requirements/windows-latest_py3.9_extras.txt deleted file mode 100644 index 63528836..00000000 --- a/requirements/windows-latest_py3.9_extras.txt +++ /dev/null @@ -1,385 +0,0 @@ -# -# This file is autogenerated by pip-compile with Python 3.9 -# by the following command: -# -# pip-compile --all-extras --output-file=requirements/windows-latest_py3.9_extras.txt -# -aioitertools==0.12.0 - # via maggma -alabaster==0.7.16 - # via sphinx -annotated-types==0.7.0 - # via pydantic -appdirs==1.4.4 - # via pint -attrs==24.2.0 - # via - # jsonlines - # jsonschema - # referencing -babel==2.16.0 - # via sphinx -bcrypt==4.2.0 - # via paramiko -black==24.8.0 - # via pyEQL (setup.py) -boto3==1.35.15 - # via maggma -botocore==1.35.15 - # via - # boto3 - # s3transfer -certifi==2024.8.30 - # via requests -cffi==1.17.1 - # via - # cryptography - # pynacl -cfgv==3.4.0 - # via pre-commit -charset-normalizer==3.3.2 - # via requests -click==8.1.7 - # via black -colorama==0.4.6 - # via - # click - # pytest - # sphinx - # tox - # tqdm -contourpy==1.3.0 - # via matplotlib -coverage[toml]==7.6.1 - # via pytest-cov -cryptography==43.0.1 - # via paramiko -cycler==0.12.1 - # via matplotlib -distlib==0.3.8 - # via virtualenv -dnspython==2.6.1 - # via - # maggma - # pymongo -docutils==0.20.1 - # via - # myst-parser - # sphinx - # sphinx-rtd-theme -exceptiongroup==1.2.2 - # via pytest -execnet==2.1.1 - # via pytest-xdist -filelock==3.20.3 - # via - # tox - # virtualenv -flexcache==0.3 - # via pint -flexparser==0.3.1 - # via pint -fonttools==4.60.2 - # via matplotlib -iapws==1.5.4 - # via pyEQL (setup.py) -identify==2.6.0 - # via pre-commit -idna==3.8 - # via requests -imagesize==1.4.1 - # via sphinx -importlib-metadata==8.4.0 - # via sphinx -importlib-resources==6.4.5 - # via - # matplotlib - # spglib -iniconfig==2.0.0 - # via pytest -jinja2==3.1.6 - # via - # myst-parser - # sphinx -jmespath==1.0.1 - # via - # boto3 - # botocore -joblib==1.4.2 - # via pymatgen -jsonlines==4.0.0 - # via maggma -jsonschema==4.23.0 - # via maggma -jsonschema-specifications==2023.12.1 - # via jsonschema -kiwisolver==1.4.7 - # via matplotlib -latexcodec==3.0.0 - # via pybtex -linkify-it-py==2.0.3 - # via myst-parser -maggma==0.69.3 - # via pyEQL (setup.py) -markdown-it-py==3.0.0 - # via - # mdit-py-plugins - # myst-parser - # rich -markupsafe==2.1.5 - # via jinja2 -matplotlib==3.9.2 - # via pymatgen -mdit-py-plugins==0.4.2 - # via myst-parser -mdurl==0.1.2 - # via markdown-it-py -mongomock==4.1.2 - # via maggma -monty==2024.7.30 - # via - # maggma - # pyEQL (setup.py) - # pymatgen -mpmath==1.3.0 - # via sympy -msgpack==1.1.0 - # via maggma -mypy==1.11.2 - # via pyEQL (setup.py) -mypy-extensions==1.0.0 - # via - # black - # mypy -myst-parser[linkify]==3.0.1 - # via pyEQL (setup.py) -networkx==3.2.1 - # via pymatgen -nodeenv==1.9.1 - # via pre-commit -numpy==1.26.4 - # via - # contourpy - # maggma - # matplotlib - # pandas - # periodictable - # pyEQL (setup.py) - # pymatgen - # scipy - # spglib -orjson==3.10.7 - # via maggma -packaging==24.1 - # via - # black - # matplotlib - # mongomock - # plotly - # pytest - # sphinx - # tox -palettable==3.3.3 - # via pymatgen -pandas==2.2.2 - # via - # maggma - # pymatgen -paramiko==3.4.1 - # via sshtunnel -pathspec==0.12.1 - # via black -periodictable==1.7.1 - # via phreeqpython -phreeqpython==1.5.2 - # via pyEQL (setup.py) -pillow==10.4.0 - # via matplotlib -pint==0.24.3 - # via pyEQL (setup.py) -platformdirs==4.3.2 - # via - # black - # virtualenv -plotly==5.24.0 - # via pymatgen -pluggy==1.5.0 - # via - # pytest - # tox -pre-commit==3.8.0 - # via pyEQL (setup.py) -py==1.11.0 - # via tox -pybtex==0.24.0 - # via pymatgen -pycparser==2.22 - # via cffi -pydantic==2.9.1 - # via - # maggma - # pydantic-settings -pydantic-core==2.23.3 - # via pydantic -pydantic-settings==2.4.0 - # via maggma -pydash==8.0.3 - # via maggma -pygments==2.18.0 - # via - # rich - # sphinx -pymatgen==2024.5.1 - # via pyEQL (setup.py) -pymongo==4.8.0 - # via maggma -pynacl==1.6.2 - # via paramiko -pyparsing==3.1.4 - # via - # matplotlib - # periodictable -pytest==8.3.2 - # via - # pyEQL (setup.py) - # pytest-cov - # pytest-xdist -pytest-cov==5.0.0 - # via pyEQL (setup.py) -pytest-xdist==3.6.1 - # via pyEQL (setup.py) -python-dateutil==2.9.0.post0 - # via - # botocore - # maggma - # matplotlib - # pandas -python-dotenv==1.0.1 - # via pydantic-settings -pytz==2024.1 - # via pandas -pyyaml==6.0.2 - # via - # myst-parser - # pre-commit - # pybtex -pyzmq==26.2.0 - # via maggma -referencing==0.35.1 - # via - # jsonschema - # jsonschema-specifications -requests==2.32.4 - # via - # pymatgen - # sphinx -rich==13.8.0 - # via pyEQL (setup.py) -rpds-py==0.20.0 - # via - # jsonschema - # referencing -ruamel-yaml==0.18.6 - # via - # maggma - # pymatgen -ruamel-yaml-clib==0.2.8 - # via ruamel-yaml -ruff==0.6.4 - # via pyEQL (setup.py) -s3transfer==0.10.2 - # via boto3 -scipy==1.13.1 - # via - # iapws - # phreeqpython - # pyEQL (setup.py) - # pymatgen -sentinels==1.0.0 - # via mongomock -six==1.16.0 - # via - # pybtex - # python-dateutil - # tox -snowballstemmer==2.2.0 - # via sphinx -spglib==2.5.0 - # via pymatgen -sphinx==7.4.7 - # via - # myst-parser - # pyEQL (setup.py) - # sphinx-rtd-theme - # sphinxcontrib-jquery -sphinx-rtd-theme==2.0.0 - # via pyEQL (setup.py) -sphinxcontrib-applehelp==2.0.0 - # via sphinx -sphinxcontrib-devhelp==2.0.0 - # via sphinx -sphinxcontrib-htmlhelp==2.1.0 - # via sphinx -sphinxcontrib-jquery==4.1 - # via sphinx-rtd-theme -sphinxcontrib-jsmath==1.0.1 - # via sphinx -sphinxcontrib-qthelp==2.0.0 - # via sphinx -sphinxcontrib-serializinghtml==2.0.0 - # via sphinx -sshtunnel==0.4.0 - # via maggma -sympy==1.13.2 - # via pymatgen -tabulate==0.9.0 - # via pymatgen -tenacity==9.0.0 - # via plotly -tomli==2.0.1 - # via - # black - # coverage - # mypy - # pytest - # sphinx - # tox -tox==3.28.0 - # via pyEQL (setup.py) -tqdm==4.66.5 - # via - # maggma - # pymatgen -typing-extensions==4.12.2 - # via - # aioitertools - # black - # flexcache - # flexparser - # mypy - # pint - # pydantic - # pydantic-core - # pydash - # spglib -tzdata==2024.1 - # via pandas -uc-micro-py==1.0.3 - # via linkify-it-py -uncertainties==3.2.2 - # via pymatgen -urllib3==2.6.3 - # via - # botocore - # requests -virtualenv==20.36.1 - # via - # pre-commit - # tox -zipp==3.20.1 - # via - # importlib-metadata - # importlib-resources - -# The following packages are considered to be unsafe in a requirements file: -# setuptools