Remove requirements.txt and replace with environment.yml instead

2026-06-04 12:44:22 +08:00 · 2024-05-21 16:27:57 +01:00
parent 4fbac4e000
commit 3be743f12a
1 changed files with 0 additions and 270 deletions
--- a/requirements.txt
+++ b/requirements.txt
@@ -1,270 +0,0 @@
-absl-py @ file:///opt/conda/conda-bld/absl-py_1639803114343/work
-aiohttp @ file:///tmp/build/80754af9/aiohttp_1637844158574/work
-aiosignal @ file:///tmp/build/80754af9/aiosignal_1637843061372/work
-alabaster==0.7.12
-antlr4-python3-runtime==4.9.3
-anyio @ file:///tmp/build/80754af9/anyio_1644481698350/work/dist
-apex==0.1
-argon2-cffi @ file:///opt/conda/conda-bld/argon2-cffi_1645000214183/work
-argon2-cffi-bindings @ file:///tmp/build/80754af9/argon2-cffi-bindings_1644569684262/work
-ase==3.22.1
-astroid==2.9.3
-async-timeout @ file:///tmp/build/80754af9/async-timeout_1637851218186/work
-atom3d==0.2.6
-attrs @ file:///opt/conda/conda-bld/attrs_1642510447205/work
-autocommand==2.2.2
-autopep8==1.6.0
-Babel @ file:///tmp/build/80754af9/babel_1620871417480/work
-backcall @ file:///home/ktietz/src/ci/backcall_1611930011877/work
-biopython==1.79
-bleach @ file:///opt/conda/conda-bld/bleach_1641577558959/work
-blinker==1.4
-Bottleneck==1.3.2
-brotlipy==0.7.0
-cachetools @ file:///tmp/build/80754af9/cachetools_1619597386817/work
-captum==0.2.0
-certifi==2023.5.7
-cffi @ file:///opt/conda/conda-bld/cffi_1642701102775/work
-charset-normalizer @ file:///tmp/build/80754af9/charset-normalizer_1630003229654/work
-cheroot==9.0.0
-CherryPy==18.8.0
-cilog==1.2.3
-click==8.0.3
-cloudpickle==2.1.0
-colour==0.1.5
-cryptography @ file:///tmp/build/80754af9/cryptography_1633520369403/work
-cycler @ file:///tmp/build/80754af9/cycler_1637851556182/work
-debugpy @ file:///tmp/build/80754af9/debugpy_1637091796427/work
-decorator @ file:///opt/conda/conda-bld/decorator_1643638310831/work
-defusedxml @ file:///tmp/build/80754af9/defusedxml_1615228127516/work
-dgl-cu113==0.9.0
-dglgo==0.0.2
-dgllife==0.2.9
-dill==0.3.6
-dive-into-graphs==1.0.0
-docutils==0.18.1
-easy-parallel==0.1.6
-easydict==1.9
-entrypoints==0.3
-et-xmlfile==1.1.0
-faerun==0.4.7
-fire==0.4.0
-flake8==4.0.1
-fonttools==4.25.0
-freesasa==2.1.0
-frozenlist @ file:///tmp/build/80754af9/frozenlist_1637767111923/work
-fsspec==2022.11.0
-future==0.18.2
-google-auth @ file:///tmp/build/80754af9/google-auth_1626320605116/work
-google-auth-oauthlib @ file:///tmp/build/80754af9/google-auth-oauthlib_1617120569401/work
-googledrivedownloader==0.4
-graphviz==0.19.2
-greenlet @ file:///tmp/build/80754af9/greenlet_1628887725296/work
-grpcio @ file:///tmp/build/80754af9/grpcio_1637590823556/work
-gym==0.26.2
-gym-notices==0.0.8
-h5py==3.7.0
-hydra-core==1.2.0
-hyperopt==0.2.7
-idna @ file:///tmp/build/80754af9/idna_1637925883363/work
-imagesize==1.4.1
-importlib-metadata @ file:///tmp/build/80754af9/importlib-metadata_1638542885373/work
-importlib-resources==5.8.0
-inflect==6.0.2
-ipykernel @ file:///tmp/build/80754af9/ipykernel_1633545412716/work/dist/ipykernel-6.4.1-py3-none-any.whl
-ipympl @ file:///home/conda/feedstock_root/build_artifacts/ipympl_1645174282670/work
-ipython @ file:///tmp/build/80754af9/ipython_1643818147236/work
-ipython-genutils @ file:///tmp/build/80754af9/ipython_genutils_1606773439826/work
-ipywidgets @ file:///home/conda/feedstock_root/build_artifacts/ipywidgets_1660929733321/work
-isodate==0.6.1
-isort==5.10.1
-jaraco.classes==3.2.3
-jaraco.collections==3.8.0
-jaraco.context==4.3.0
-jaraco.functools==3.6.0
-jaraco.text==3.11.1
-jedi==0.18.1
-Jinja2 @ file:///tmp/build/80754af9/jinja2_1635780242639/work
-joblib==1.1.0
-json5 @ file:///tmp/build/80754af9/json5_1624432770122/work
-jsonschema @ file:///Users/ktietz/demo/mc3/conda-bld/jsonschema_1630511932244/work
-jupyter-client @ file:///opt/conda/conda-bld/jupyter_client_1643638337975/work
-jupyter-core @ file:///tmp/build/80754af9/jupyter_core_1636524756443/work
-jupyter-lsp @ file:///home/conda/feedstock_root/build_artifacts/jupyter-lsp-meta_1639326415622/work/jupyter-lsp
-jupyter-server @ file:///opt/conda/conda-bld/jupyter_server_1644494914632/work
-jupyterlab @ file:///home/conda/feedstock_root/build_artifacts/jupyterlab_1643984239174/work
-jupyterlab-lsp @ file:///home/conda/feedstock_root/build_artifacts/jupyter-lsp-meta_1641036216377/work/jupyterlab-lsp
-jupyterlab-pygments @ file:///tmp/build/80754af9/jupyterlab_pygments_1601490720602/work
-jupyterlab-server @ file:///opt/conda/conda-bld/jupyterlab_server_1644500396812/work
-jupyterlab-widgets @ file:///tmp/build/80754af9/jupyterlab_widgets_1609884341231/work
-kiwisolver @ file:///opt/conda/conda-bld/kiwisolver_1638569886207/work
-lazy-object-proxy==1.7.1
-lightning-utilities==0.3.0
-littleutils==0.2.2
-llvmlite==0.38.0
-lmdb @ file:///tmp/build/80754af9/python-lmdb_1619708137835/work
-Markdown @ file:///tmp/build/80754af9/markdown_1614363528767/work
-MarkupSafe @ file:///tmp/build/80754af9/markupsafe_1621528148836/work
-matplotlib @ file:///tmp/build/80754af9/matplotlib-suite_1645455682260/work
-matplotlib-inline @ file:///tmp/build/80754af9/matplotlib-inline_1628242447089/work
-mccabe==0.6.1
-meeko==0.4.0
-mistune==0.8.4
-mkl-fft==1.3.1
-mkl-random @ file:///tmp/build/80754af9/mkl_random_1626186064646/work
-mkl-service==2.4.0
-more-itertools==9.1.0
-mpmath==1.2.1
-msgpack==1.0.4
-multidict @ file:///opt/conda/conda-bld/multidict_1640703752579/work
-multipledispatch==0.6.0
-multiprocess==0.70.14
-munkres==1.1.4
-mypy-extensions==0.4.3
-nbclassic @ file:///opt/conda/conda-bld/nbclassic_1644943264176/work
-nbclient @ file:///tmp/build/80754af9/nbclient_1645431659072/work
-nbconvert @ file:///opt/conda/conda-bld/nbconvert_1641309195684/work
-nbformat @ file:///tmp/build/80754af9/nbformat_1617383369282/work
-nest-asyncio @ file:///tmp/build/80754af9/nest-asyncio_1613680548246/work
-netron==5.7.0
-networkx==2.6.3
-nglview @ file:///home/conda/feedstock_root/build_artifacts/nglview_1623387107190/work
-notebook @ file:///tmp/build/80754af9/notebook_1645002536250/work
-numba==0.55.1
-numexpr @ file:///tmp/build/80754af9/numexpr_1640704208950/work
-numpy @ file:///tmp/build/80754af9/numpy_and_numpy_base_1634095647912/work
-numpydoc==1.4.0
-oauthlib @ file:///opt/conda/conda-bld/oauthlib_1644332107998/work
-ogb==1.3.3
-olefile @ file:///Users/ktietz/demo/mc3/conda-bld/olefile_1629805411829/work
-omegaconf==2.2.2
-openpyxl==3.0.10
-ortools==9.3.10497
-outdated==0.2.1
-packaging @ file:///tmp/build/80754af9/packaging_1637314298585/work
-pandas==1.4.1
-pandocfilters @ file:///opt/conda/conda-bld/pandocfilters_1643405455980/work
-parso==0.8.3
-pathos==0.3.0
-pexpect @ file:///tmp/build/80754af9/pexpect_1605563209008/work
-pickleshare @ file:///tmp/build/80754af9/pickleshare_1606932040724/work
-Pillow==8.4.0
-platformdirs==2.5.1
-pluggy==1.0.0
-Pmw==2.1.1
-portend==3.1.0
-pox==0.3.2
-ppft==1.7.6.6
-prometheus-client @ file:///opt/conda/conda-bld/prometheus_client_1643788673601/work
-prompt-toolkit @ file:///tmp/build/80754af9/prompt-toolkit_1633440160888/work
-protobuf==3.20.1
-psutil==5.9.1
-ptyprocess @ file:///tmp/build/80754af9/ptyprocess_1609355006118/work/dist/ptyprocess-0.7.0-py2.py3-none-any.whl
-py4j==0.10.9.5
-pyasn1 @ file:///Users/ktietz/demo/mc3/conda-bld/pyasn1_1629708007385/work
-pyasn1-modules==0.2.8
-pycairo==1.19.1
-pycodestyle==2.8.0
-pycparser @ file:///tmp/build/80754af9/pycparser_1636541352034/work
-pydantic==1.9.1
-pydocstyle==6.1.1
-pyflakes==2.4.0
-Pygments @ file:///opt/conda/conda-bld/pygments_1644249106324/work
-PyJWT @ file:///tmp/build/80754af9/pyjwt_1619651636675/work
-pylint==2.12.2
-pymol==2.5.0
-pyOpenSSL @ file:///tmp/build/80754af9/pyopenssl_1635333100036/work
-pyparsing @ file:///tmp/build/80754af9/pyparsing_1635766073266/work
-PyQt5==5.12.3
-PyQt5_sip==4.19.18
-PyQtChart==5.12
-PyQtWebEngine==5.12.1
-pyrr==0.10.3
-pyrsistent @ file:///tmp/build/80754af9/pyrsistent_1636110947380/work
-pyscf==1.7.6.post1
-PySocks @ file:///tmp/build/80754af9/pysocks_1605305779399/work
-python-dateutil @ file:///tmp/build/80754af9/python-dateutil_1626374649649/work
-python-dotenv==0.21.0
-python-lsp-jsonrpc==1.0.0
-python-lsp-server==1.3.3
-pytorch-lightning==1.8.3.post1
-pytz==2021.3
-PyYAML==6.0
-pyzmq @ file:///tmp/build/80754af9/pyzmq_1638436375034/work
-rdflib==6.1.1
-rdkit-pypi==2022.3.4
-reportlab==3.5.67
-requests @ file:///opt/conda/conda-bld/requests_1641824580448/work
-requests-oauthlib==1.3.0
-rope==0.23.0
-rsa @ file:///tmp/build/80754af9/rsa_1614366226499/work
-ruamel.yaml==0.17.21
-ruamel.yaml.clib==0.2.6
-scikit-learn==1.0.2
-scipy==1.8.0
-seaborn==0.12.2
-Send2Trash @ file:///tmp/build/80754af9/send2trash_1632406701022/work
-shap==0.41.0
-six @ file:///tmp/build/80754af9/six_1644875935023/work
-slicer==0.0.7
-sniffio @ file:///tmp/build/80754af9/sniffio_1614030475067/work
-snowballstemmer==2.2.0
-Sphinx==5.0.2
-sphinxcontrib-applehelp==1.0.2
-sphinxcontrib-devhelp==1.0.2
-sphinxcontrib-htmlhelp==2.0.0
-sphinxcontrib-jsmath==1.0.1
-sphinxcontrib-qthelp==1.0.3
-sphinxcontrib-serializinghtml==1.1.5
-SQLAlchemy @ file:///tmp/build/80754af9/sqlalchemy_1638290671404/work
-style==1.1.0
-sympy==1.10
-tables==3.7.0
-tabulate==0.8.10
-tempora==5.2.1
-tensorboard @ file:///home/conda/feedstock_root/build_artifacts/tensorboard_1644015949874/work/tensorboard-2.8.0-py3-none-any.whl
-tensorboard-data-server @ file:///tmp/build/80754af9/tensorboard-data-server_1633035064162/work/tensorboard_data_server-0.6.0-py3-none-manylinux2010_x86_64.whl
-tensorboard-plugin-wit==1.6.0
-tensorboardX==2.5.1
-termcolor==2.1.1
-terminado @ file:///tmp/build/80754af9/terminado_1644322581811/work
-testpath @ file:///tmp/build/80754af9/testpath_1624638946665/work
-threadpoolctl==3.1.0
-tmap==1.0.6
-toml==0.10.2
-torch==1.12.1
-torch-cluster==1.6.0
-torch-geometric==2.1.0.post1
-torch-scatter==2.0.9
-torch-sparse==0.6.15
-torch-spline-conv==1.2.1
-torch-tb-profiler==0.4.0
-torchaudio==0.12.1
-torchdiffeq==0.2.3
-torchmetrics==0.11.0
-torchvision==0.13.1
-torchviz==0.0.2
-tornado @ file:///tmp/build/80754af9/tornado_1606942300299/work
-tqdm==4.63.0
-traitlets @ file:///tmp/build/80754af9/traitlets_1636710298902/work
-typed-argument-parser==1.7.2
-typer==0.6.1
-typing-inspect==0.7.1
-typing_extensions==4.4.0
-ujson==5.1.0
-update==0.0.1
-urllib3 @ file:///opt/conda/conda-bld/urllib3_1643638302206/work
-wcwidth @ file:///Users/ktietz/demo/mc3/conda-bld/wcwidth_1629357192024/work
-webencodings==0.5.1
-websocket-client @ file:///tmp/build/80754af9/websocket-client_1614804261064/work
-Werkzeug @ file:///opt/conda/conda-bld/werkzeug_1645628268370/work
-widgetsnbextension @ file:///home/conda/feedstock_root/build_artifacts/widgetsnbextension_1655939017940/work
-wrapt==1.13.3
-xeus-python==0.13.6
-xeus-python-shell @ file:///home/conda/feedstock_root/build_artifacts/xeus-python-shell_1642004964212/work
-XlsxWriter==3.0.3
-yacs==0.1.8
-yapf==0.32.0
-yarl @ file:///tmp/build/80754af9/yarl_1606939922162/work
-zc.lockfile==3.0.post1
-zipp @ file:///opt/conda/conda-bld/zipp_1641824620731/work