From fe82d5f0e22db5e833849552fc0ee9a12ed66ec2 Mon Sep 17 00:00:00 2001 From: qcampbel Date: Thu, 13 Feb 2025 18:18:06 -0500 Subject: [PATCH] removed mdagent.yaml --- mdagent.yaml | 431 --------------------------------------------------- 1 file changed, 431 deletions(-) delete mode 100644 mdagent.yaml diff --git a/mdagent.yaml b/mdagent.yaml deleted file mode 100644 index 5acb243d..00000000 --- a/mdagent.yaml +++ /dev/null @@ -1,431 +0,0 @@ -name: mdagents -channels: - - conda-forge - - defaults -dependencies: - - ambertools=23.6=cuda_None_nompi_py311h486627a_105 - - annotated-types=0.7.0=pyhd8ed1ab_0 - - appnope=0.1.4=pyhd8ed1ab_0 - - argon2-cffi=23.1.0=pyhd8ed1ab_0 - - argon2-cffi-bindings=21.2.0=py311heffc1b2_4 - - arpack=3.9.1=nompi_h593882a_101 - - arrow=1.3.0=pyhd8ed1ab_0 - - asttokens=2.4.1=pyhd8ed1ab_0 - - astunparse=1.6.3=pyhd8ed1ab_0 - - async-lru=2.0.4=pyhd8ed1ab_0 - - attrs=23.2.0=pyh71513ae_0 - - babel=2.14.0=pyhd8ed1ab_0 - - backports.zoneinfo=0.2.1=py311h267d04e_8 - - beautifulsoup4=4.12.3=pyha770c72_0 - - biopython=1.84=py311hd3f4193_0 - - bleach=6.1.0=pyhd8ed1ab_0 - - blosc=1.21.6=h5499902_0 - - brotli=1.1.0=hb547adb_1 - - brotli-bin=1.1.0=hb547adb_1 - - brotli-python=1.1.0=py311ha891d26_1 - - bson=0.5.9=py_0 - - bzip2=1.0.8=h93a5062_5 - - c-ares=1.28.1=h93a5062_0 - - c-blosc2=2.15.0=h5063078_1 - - ca-certificates=2024.7.4=hf0a4a13_0 - - cached-property=1.5.2=hd8ed1ab_1 - - cached_property=1.5.2=pyha770c72_1 - - cachetools=5.3.3=pyhd8ed1ab_0 - - cairo=1.18.0=hc6c324b_2 - - certifi=2024.7.4=pyhd8ed1ab_0 - - cffi=1.16.0=py311h4a08483_0 - - cftime=1.6.4=py311h5d790af_0 - - chardet=5.2.0=py311h267d04e_1 - - charset-normalizer=3.3.2=pyhd8ed1ab_0 - - click=8.1.7=unix_pyh707e725_0 - - colorama=0.4.6=pyhd8ed1ab_0 - - comm=0.2.2=pyhd8ed1ab_0 - - contourpy=1.2.1=py311hcc98501_0 - - cycler=0.12.1=pyhd8ed1ab_0 - - decorator=5.1.1=pyhd8ed1ab_0 - - defusedxml=0.7.1=pyhd8ed1ab_0 - - entrypoints=0.4=pyhd8ed1ab_0 - - exceptiongroup=1.2.0=pyhd8ed1ab_2 - - executing=2.0.1=pyhd8ed1ab_0 - - expat=2.6.2=hebf3989_0 - - fftw=3.3.10=nompi_h6637ab6_110 - - font-ttf-dejavu-sans-mono=2.37=hab24e00_0 - - font-ttf-inconsolata=3.000=h77eed37_0 - - font-ttf-source-code-pro=2.038=h77eed37_0 - - font-ttf-ubuntu=0.83=h77eed37_2 - - fontconfig=2.14.2=h82840c6_0 - - fonts-conda-ecosystem=1=0 - - fonts-conda-forge=1=0 - - fqdn=1.5.1=pyhd8ed1ab_0 - - freetype=2.12.1=hadb7bae_2 - - freetype-py=2.3.0=pyhd8ed1ab_0 - - greenlet=3.0.3=py311h92babd0_0 - - griddataformats=1.0.2=pyhd8ed1ab_0 - - gsd=3.3.0=py311h5d790af_0 - - h11=0.14.0=pyhd8ed1ab_0 - - h2=4.1.0=pyhd8ed1ab_0 - - h5py=3.11.0=nompi_py311hd41bb03_102 - - hdf4=4.2.15=h2ee6834_7 - - hdf5=1.14.3=nompi_hec07895_105 - - hpack=4.0.0=pyh9f0ad1d_0 - - httpcore=1.0.5=pyhd8ed1ab_0 - - httpx=0.27.0=pyhd8ed1ab_0 - - hyperframe=6.0.1=pyhd8ed1ab_0 - - hypothesis=6.105.1=pyha770c72_0 - - icu=73.2=hc8870d7_0 - - idna=3.7=pyhd8ed1ab_0 - - importlib_metadata=8.0.0=hd8ed1ab_0 - - importlib_resources=6.4.0=pyhd8ed1ab_0 - - iniconfig=2.0.0=pyhd8ed1ab_0 - - ipywidgets=8.1.3=pyhd8ed1ab_0 - - isoduration=20.11.0=pyhd8ed1ab_0 - - jedi=0.19.1=pyhd8ed1ab_0 - - jinja2=3.1.4=pyhd8ed1ab_0 - - joblib=1.4.2=pyhd8ed1ab_0 - - json5=0.9.25=pyhd8ed1ab_0 - - jsonschema=4.22.0=pyhd8ed1ab_0 - - jsonschema-specifications=2023.12.1=pyhd8ed1ab_0 - - jsonschema-with-format-nongpl=4.22.0=pyhd8ed1ab_0 - - jupyter-lsp=2.2.5=pyhd8ed1ab_0 - - jupyter_client=8.6.2=pyhd8ed1ab_0 - - jupyter_core=5.7.2=py311h267d04e_0 - - jupyter_events=0.10.0=pyhd8ed1ab_0 - - jupyter_server=2.14.1=pyhd8ed1ab_0 - - jupyter_server_terminals=0.5.3=pyhd8ed1ab_0 - - jupyterlab=4.2.3=pyhd8ed1ab_0 - - jupyterlab_pygments=0.3.0=pyhd8ed1ab_1 - - jupyterlab_server=2.27.2=pyhd8ed1ab_0 - - jupyterlab_widgets=3.0.11=pyhd8ed1ab_0 - - khronos-opencl-icd-loader=2023.04.17=hf50ae52_1 - - kiwisolver=1.4.5=py311he4fd1f5_1 - - krb5=1.21.3=h237132a_0 - - lcms2=2.16=ha0e7c42_0 - - lerc=4.0.0=h9a09cb3_0 - - libaec=1.1.3=hebf3989_0 - - libblas=3.9.0=22_osxarm64_openblas - - libboost=1.84.0=h17eb2be_3 - - libboost-python=1.84.0=py311h911f721_3 - 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- opentelemetry-sdk==1.24.0 - - opentelemetry-semantic-conventions==0.45b0 - - opentelemetry-util-http==0.45b0 - - orjson==3.10.3 - - outlines==0.0.41 - - packmol-memgen==2024.2.9 - - paper-qa==4.0.0rc8 - - paper-scraper==1.8.0 - - pdb4amber==22.0 - - posthog==3.5.0 - - prompt-toolkit==3.0.43 - - protobuf==4.25.3 - - psutil==5.9.8 - - pulsar-client==3.5.0 - - pyarrow==16.1.0 - - pyasn1==0.6.0 - - pyasn1-modules==0.4.0 - - pybtex==0.24.0 - - pycryptodome==3.20.0 - - pydeck==0.9.1 - - pymsmt==22.0 - - pymupdf==1.24.4 - - pymupdfb==1.24.3 - - pypdf==4.2.0 - - pypika==0.48.9 - - pyproject-hooks==1.1.0 - - python-dateutil==2.9.0.post0 - - python-dotenv==1.0.1 - - python-multipart==0.0.9 - - pytraj==2.0.6 - - rdkit==2023.9.6 - - regex==2024.5.15 - - requests==2.32.2 - - requests-oauthlib==2.0.0 - - rich==13.7.1 - - rpds-py==0.18.1 - - rsa==4.9 - - sander==22.0 - - shellingham==1.5.4 - - smmap==5.0.1 - - sqlalchemy==2.0.30 - - stack-data==0.6.3 - - starlette==0.37.2 - - streamlit==1.35.0 - - sympy==1.12 - - tenacity==8.3.0 - - tiktoken==0.7.0 - - tokenizers==0.19.1 - - toml==0.10.2 - - toolz==0.12.1 - - tornado==6.4 - - typer==0.12.3 - - typing-extensions==4.11.0 - - typing-inspect==0.9.0 - - ujson==5.10.0 - - urllib3==2.2.1 - - uvicorn==0.29.0 - - uvloop==0.19.0 - - watchfiles==0.21.0 - - websockets==12.0 - - wrapt==1.16.0 - - yarl==1.9.4 - - zipp==3.18.2 -prefix: /Users/jorgemedina/miniforge3/envs/mdagent2