MDAnalysis_Tutorial/env_mdanalysis.yaml at main · Protactinium92/MDAnalysis_Tutorial · GitHub

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name: md-analysis
channels:
  - conda-forge
  - defaults
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_gnu
  - asttokens=2.4.1=pyhd8ed1ab_0
  - biopython=1.84=py312h9a8786e_0
  - blosc=1.21.6=hef167b5_0
  - brotli=1.1.0=hb9d3cd8_2
  - brotli-bin=1.1.0=hb9d3cd8_2
  - bzip2=1.0.8=h4bc722e_7
  - c-ares=1.34.2=heb4867d_0
  - ca-certificates=2024.9.24=h06a4308_0
  - cached-property=1.5.2=hd8ed1ab_1
  - cached_property=1.5.2=pyha770c72_1
  - cairo=1.18.0=hebfffa5_3
  - certifi=2024.8.30=py312h06a4308_0
  - cftime=1.6.4=py312hc0a28a1_1
  - chardet=5.2.0=py312h7900ff3_2
  - colorama=0.4.6=pyhd8ed1ab_0
  - comm=0.2.2=pyhd8ed1ab_0
  - contourpy=1.3.0=py312h68727a3_2
  - cycler=0.12.1=pyhd8ed1ab_0
  - cyrus-sasl=2.1.27=h54b06d7_7
  - debugpy=1.8.7=py312h2ec8cdc_0
  - decorator=5.1.1=pyhd8ed1ab_0
  - dill=0.3.9=pyhd8ed1ab_0
  - exceptiongroup=1.2.2=pyhd8ed1ab_0
  - executing=2.1.0=pyhd8ed1ab_0
  - expat=2.6.3=h5888daf_0
  - fasteners=0.17.3=pyhd8ed1ab_0
  - 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_3
  - fontconfig=2.14.2=h14ed4e7_0
  - fonts-conda-ecosystem=1=0
  - fonts-conda-forge=1=0
  - fonttools=4.54.1=py312h178313f_1
  - freetype=2.12.1=h267a509_2
  - freetype-py=2.3.0=pyhd8ed1ab_0
  - greenlet=3.1.1=py312h2ec8cdc_0
  - griddataformats=1.0.2=pyhd8ed1ab_0
  - gsd=3.4.1=py312h66e93f0_0
  - h5py=3.12.1=nompi_py312hedeef09_102
  - hdf4=4.2.15=h2a13503_7
  - hdf5=1.14.3=nompi_hdf9ad27_105
  - icu=75.1=he02047a_0
  - importlib-metadata=8.5.0=pyha770c72_0
  - ipykernel=6.29.5=pyh3099207_0
  - ipython=8.28.0=pyh707e725_0
  - jedi=0.19.1=pyhd8ed1ab_0
  - joblib=1.4.2=pyhd8ed1ab_0
  - jupyter_client=8.6.3=pyhd8ed1ab_0
  - jupyter_core=5.7.2=pyh31011fe_1
  - keyutils=1.6.1=h166bdaf_0
  - kiwisolver=1.4.7=py312h68727a3_0
  - krb5=1.21.3=h659f571_0
  - lcms2=2.16=hb7c19ff_0
  - ld_impl_linux-64=2.43=h712a8e2_2
  - lerc=4.0.0=h27087fc_0
  - libaec=1.1.3=h59595ed_0
  - libblas=3.9.0=25_linux64_openblas
  - libboost=1.86.0=hb8260a3_2
  - libboost-python=1.86.0=py312hc39e661_2
  - libbrotlicommon=1.1.0=hb9d3cd8_2
  - libbrotlidec=1.1.0=hb9d3cd8_2
  - libbrotlienc=1.1.0=hb9d3cd8_2
  - libcblas=3.9.0=25_linux64_openblas
  - libcurl=8.10.1=hbbe4b11_0
  - libdeflate=1.22=hb9d3cd8_0
  - libedit=3.1.20191231=he28a2e2_2
  - libev=4.33=hd590300_2
  - libexpat=2.6.3=h5888daf_0
  - libffi=3.4.2=h7f98852_5
  - libgcc=14.2.0=h77fa898_1
  - libgcc-ng=14.2.0=h69a702a_1
  - libgfortran=14.2.0=h69a702a_1
  - libgfortran-ng=14.2.0=h69a702a_1
  - libgfortran5=14.2.0=hd5240d6_1
  - libglib=2.82.2=h2ff4ddf_0
  - libgomp=14.2.0=h77fa898_1
  - libiconv=1.17=hd590300_2
  - libjpeg-turbo=3.0.0=hd590300_1
  - liblapack=3.9.0=25_linux64_openblas
  - libnetcdf=4.9.2=nompi_h135f659_114
  - libnghttp2=1.64.0=h161d5f1_0
  - libnsl=2.0.1=hd590300_0
  - libntlm=1.4=h7f98852_1002
  - libopenblas=0.3.28=pthreads_h94d23a6_0
  - libpng=1.6.44=hadc24fc_0
  - libpq=17.0=h04577a9_4
  - librdkit=2024.09.2=h84b0b3c_1
  - libsodium=1.0.20=h4ab18f5_0
  - libsqlite=3.47.0=hadc24fc_0
  - libssh2=1.11.0=h0841786_0
  - libstdcxx=14.2.0=hc0a3c3a_1
  - libstdcxx-ng=14.2.0=h4852527_1
  - libtiff=4.7.0=he137b08_1
  - libuuid=2.38.1=h0b41bf4_0
  - libwebp-base=1.4.0=hd590300_0
  - libxcb=1.17.0=h8a09558_0
  - libxcrypt=4.4.36=hd590300_1
  - libxml2=2.12.7=he7c6b58_4
  - libzip=1.11.1=hf83b1b0_0
  - libzlib=1.3.1=hb9d3cd8_2
  - lz4-c=1.9.4=hcb278e6_0
  - matplotlib-base=3.9.2=py312hd3ec401_1
  - matplotlib-inline=0.1.7=pyhd8ed1ab_0
  - mda-xdrlib=0.2.0=pyhd8ed1ab_0
  - mdanalysis=2.7.0=py312hfb8ada1_1
  - mmtf-python=1.1.3=pyhd8ed1ab_0
  - mrcfile=1.5.3=pyhd8ed1ab_0
  - msgpack-python=1.1.0=py312h68727a3_0
  - multiprocess=0.70.17=py312h66e93f0_0
  - munkres=1.1.4=pyh9f0ad1d_0
  - ncurses=6.5=he02047a_1
  - nest-asyncio=1.6.0=pyhd8ed1ab_0
  - netcdf4=1.7.1=nompi_py312h21d6d8e_102
  - networkx=3.4.2=pyhd8ed1ab_0
  - numpy=1.26.4=py312heda63a1_0
  - openjpeg=2.5.2=h488ebb8_0
  - openldap=2.6.8=hedd0468_0
  - openssl=3.3.2=hb9d3cd8_0
  - packaging=24.1=pyhd8ed1ab_0
  - pandas=2.2.3=py312hf9745cd_1
  - parso=0.8.4=pyhd8ed1ab_0
  - patsy=0.5.6=pyhd8ed1ab_0
  - pcre2=10.44=hba22ea6_2
  - pexpect=4.9.0=pyhd8ed1ab_0
  - pickleshare=0.7.5=py_1003
  - pillow=11.0.0=py312h7b63e92_0
  - pip=24.2=pyh8b19718_1
  - pixman=0.43.2=h59595ed_0
  - platformdirs=4.3.6=pyhd8ed1ab_0
  - prolif=2.0.3=pyhd8ed1ab_0
  - prompt-toolkit=3.0.48=pyha770c72_0
  - psutil=6.0.0=py312h66e93f0_2
  - pthread-stubs=0.4=hb9d3cd8_1002
  - ptyprocess=0.7.0=pyhd3deb0d_0
  - pure_eval=0.2.3=pyhd8ed1ab_0
  - py3dmol=2.4.0=pyhd8ed1ab_0
  - pycairo=1.27.0=py312h51b637d_0
  - pyedr=0.8.0=pyhd8ed1ab_0
  - pygments=2.18.0=pyhd8ed1ab_0
  - pyparsing=3.2.0=pyhd8ed1ab_1
  - python=3.12.7=hc5c86c4_0_cpython
  - python-dateutil=2.9.0=pyhd8ed1ab_0
  - python-tzdata=2024.2=pyhd8ed1ab_0
  - python_abi=3.12=5_cp312
  - pytng=0.3.3=py312he13756e_1
  - pytz=2024.1=pyhd8ed1ab_0
  - pyzmq=26.2.0=py312hbf22597_3
  - qhull=2020.2=h434a139_5
  - rdkit=2024.09.2=py312h07adbc5_1
  - readline=8.2=h8228510_1
  - reportlab=4.2.5=py312h66e93f0_0
  - rlpycairo=0.2.0=pyhd8ed1ab_0
  - scikit-learn=1.5.2=py312h7a48858_1
  - scipy=1.14.1=py312h62794b6_1
  - seaborn=0.13.2=hd8ed1ab_2
  - seaborn-base=0.13.2=pyhd8ed1ab_2
  - setuptools=75.1.0=pyhd8ed1ab_0
  - six=1.16.0=pyh6c4a22f_0
  - snappy=1.2.1=ha2e4443_0
  - sqlalchemy=2.0.36=py312h66e93f0_0
  - stack_data=0.6.2=pyhd8ed1ab_0
  - statsmodels=0.14.4=py312hc0a28a1_0
  - threadpoolctl=3.5.0=pyhc1e730c_0
  - tidynamics=1.1.2=pyhd8ed1ab_0
  - tk=8.6.13=noxft_h4845f30_101
  - tornado=6.4.1=py312h66e93f0_1
  - tqdm=4.66.5=pyhd8ed1ab_0
  - traitlets=5.14.3=pyhd8ed1ab_0
  - typing-extensions=4.12.2=hd8ed1ab_0
  - typing_extensions=4.12.2=pyha770c72_0
  - tzdata=2024b=hc8b5060_0
  - unicodedata2=15.1.0=py312h98912ed_0
  - wcwidth=0.2.13=pyhd8ed1ab_0
  - wheel=0.44.0=pyhd8ed1ab_0
  - xorg-libice=1.1.1=hb9d3cd8_1
  - xorg-libsm=1.2.4=he73a12e_1
  - xorg-libx11=1.8.10=h4f16b4b_0
  - xorg-libxau=1.0.11=hb9d3cd8_1
  - xorg-libxdmcp=1.1.5=hb9d3cd8_0
  - xorg-libxext=1.3.6=hb9d3cd8_0
  - xorg-libxrender=0.9.11=hb9d3cd8_1
  - xorg-xorgproto=2024.1=hb9d3cd8_1
  - xz=5.2.6=h166bdaf_0
  - zeromq=4.3.5=h3b0a872_6
  - zipp=3.20.2=pyhd8ed1ab_0
  - zlib=1.3.1=hb9d3cd8_2
  - zstd=1.5.6=ha6fb4c9_0
prefix: /home/sdv/m2isdd/pho/.conda/envs/md-analysis