/
environment.yml
175 lines (174 loc) · 4.85 KB
/
environment.yml
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name: mdcli-env
channels:
- anaconda
- salilab
- conda-forge
- glotzer
- defaults
- ambermd
- schrodinger
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_llvm
- apbs=1.5=hd8ae8d1_0
- astroid=2.4.1=py37hc8dfbb8_0
- attrs=19.1.0=py_0
- backcall=0.1.0=py_0
- blas=1.0=mkl
- bleach=3.1.0=py_0
- brotlipy=0.7.0=py37h8f50634_1000
- bzip2=1.0.8=h516909a_2
- ca-certificates=2020.4.5.2=hecda079_0
- certifi=2020.4.5.2=py37hc8dfbb8_0
- cffi=1.14.0=py37hd463f26_0
- chardet=3.0.4=py37hc8dfbb8_1006
- cryptography=2.9.2=py37hb09aad4_0
- curl=7.69.1=h33f0ec9_0
- dbus=1.13.2=h714fa37_1
- decorator=4.4.0=py_0
- defusedxml=0.5.0=py_1
- entrypoints=0.3=py37_1000
- expat=2.2.5=hf484d3e_1002
- flake8=3.8.2=pyh9f0ad1d_0
- fontconfig=2.13.1=he4413a7_1000
- freemol=1.158=py_2
- freetype=2.10.0=he983fc9_0
- gettext=0.19.8.1=hc5be6a0_1002
- glew=2.1.0=he1b5a44_0
- glib=2.56.2=had28632_1001
- gst-plugins-base=1.14.0=hbbd80ab_1
- gstreamer=1.14.0=hb453b48_1
- h5py=2.10.0=nompi_py37h513d04c_102
- hdf4=4.2.13=hf30be14_1003
- hdf5=1.10.5=nompi_h3c11f04_1104
- hdf5-1105=1.10.5=0
- hdf5-1820=1.8.20=0
- icu=58.2=hf484d3e_1000
- idna=2.9=py_1
- importlib-metadata=1.6.1=py37hc8dfbb8_0
- intel-openmp=2019.3=199
- ipykernel=5.1.0=py37h24bf2e0_1002
- ipython=7.4.0=py37h24bf2e0_0
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.4.2=py_0
- isort=4.3.21=py37hc8dfbb8_1
- jedi=0.13.3=py37_0
- jinja2=2.10=py_1
- jpeg=9c=h14c3975_1001
- jsonschema=3.0.1=py37_0
- jupyter=1.0.0=py_1
- jupyter_client=5.2.4=py_3
- jupyter_console=6.0.0=py_0
- jupyter_core=4.4.0=py_0
- krb5=1.17.1=h173b8e3_0
- lazy-object-proxy=1.4.3=py37h8f50634_2
- libcurl=7.69.1=hf7181ac_0
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=h4deb6c0_3
- libgcc-ng=8.2.0=hdf63c60_1
- libgfortran-ng=7.3.0=hdf63c60_0
- libglu=9.0.0=he1b5a44_1001
- libholoplaycore=0.1.0_rc4=1
- libiconv=1.15=h516909a_1005
- libnetcdf=4.7.4=nompi_h9f9fd6a_101
- libopenblas=0.3.9=h5ec1e0e_0
- libpng=1.6.36=h84994c4_1000
- libsodium=1.0.16=h14c3975_1001
- libssh2=1.9.0=hab1572f_2
- libstdcxx-ng=8.2.0=hdf63c60_1
- libtiff=4.1.0=hc7e4089_6
- libuuid=2.32.1=h14c3975_1000
- libwebp-base=1.1.0=h516909a_3
- libxcb=1.13=h14c3975_1002
- libxml2=2.9.8=h143f9aa_1005
- llvm-openmp=10.0.0=hc9558a2_0
- lz4-c=1.8.3=he1b5a44_1001
- markupsafe=1.1.1=py37h14c3975_0
- mccabe=0.6.1=py_1
- mengine=1=h14c3975_1
- mistune=0.8.4=py37h14c3975_1000
- mkl=2019.3=199
- mkl_fft=1.0.10=py37ha843d7b_0
- mkl_random=1.0.2=py37hd81dba3_0
- modeller=9.25=py37_1
- mpeg_encode=1=h14c3975_1
- mtz2ccp4_px=1.0=h9ac9557_3
- nbconvert=5.4.1=py_2
- nbformat=4.4.0=py_1
- ncurses=6.1=he6710b0_1
- notebook=5.7.6=py37_0
- numpy=1.16.2=py37h7e9f1db_0
- numpy-base=1.16.2=py37hde5b4d6_0
- olefile=0.46=py_0
- openssl=1.1.1g=h516909a_0
- pandoc=2.7.1=0
- pandocfilters=1.4.2=py_1
- parso=0.3.4=py_0
- pcre=8.43=he6710b0_0
- pdb2pqr=2.1.2+pymol=py_0
- pexpect=4.6.0=py37_1000
- pickleshare=0.7.5=py37_1000
- pillow=5.3.0=py37h00a061d_1000
- pip=19.0.3=py37_0
- pmw=2.0.1=py37hc8dfbb8_1002
- prometheus_client=0.6.0=py_0
- prompt_toolkit=2.0.9=py_0
- pthread-stubs=0.4=h14c3975_1001
- ptyprocess=0.6.0=py37_1000
- pycodestyle=2.6.0=pyh9f0ad1d_0
- pycparser=2.20=py_0
- pyflakes=2.2.0=pyh9f0ad1d_0
- pygments=2.3.1=py_0
- pylint=2.5.2=py37hc8dfbb8_0
- pymol=2.4.0=py37h913975d_0
- pyopenssl=19.1.0=py_1
- pyqt=5.6.0=py37h13b7fb3_1008
- pyrsistent=0.14.11=py37h14c3975_0
- pysocks=1.7.1=py37hc8dfbb8_1
- python=3.7.2=h0371630_0
- python-dateutil=2.8.0=py_0
- python_abi=3.7=1_cp37m
- pyzmq=18.0.1=py37h0e1adb2_0
- qt=5.6.3=h8bf5577_3
- qtconsole=4.4.3=py_0
- readline=7.0=h7b6447c_5
- requests=2.23.0=pyh8c360ce_2
- rigimol=1.3=2
- send2trash=1.5.0=py_0
- setuptools=40.8.0=py37_0
- sip=4.18.1=py37hf484d3e_1000
- six=1.12.0=py37_1000
- sqlite=3.27.2=h7b6447c_0
- terminado=0.8.1=py37_1001
- testpath=0.4.2=py_1001
- tk=8.6.8=hbc83047_0
- toml=0.10.0=py_0
- tornado=6.0.1=py37h14c3975_0
- traitlets=4.3.2=py37_1000
- typed-ast=1.4.1=py37h516909a_0
- urllib3=1.25.9=py_0
- wcwidth=0.1.7=py_1
- webencodings=0.5.1=py_1
- wheel=0.33.1=py37_0
- widgetsnbextension=3.4.2=py37_1000
- wrapt=1.11.2=py37h8f50634_0
- xorg-kbproto=1.0.7=h14c3975_1002
- xorg-libx11=1.6.9=h516909a_0
- xorg-libxau=1.0.9=h14c3975_0
- xorg-libxdmcp=1.1.3=h516909a_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-xextproto=7.3.0=h14c3975_1002
- xorg-xproto=7.0.31=h14c3975_1007
- xz=5.2.4=h14c3975_4
- zeromq=4.2.5=hf484d3e_1006
- zipp=3.1.0=py_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.4.4=h3b9ef0a_2
- pip:
- appdirs==1.4.3
- biopython==1.74
- black==19.10b0
- click==7.1.2
- pathspec==0.8.0
- regex==2020.5.7
prefix: /home/user/anaconda3/envs/mdcli-env