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environment.yml
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name: chem
channels:
- omnia
- cantera
- conda-forge
- defaults
dependencies:
- appnope=0.1.2=py36hecd8cb5_1001
- argon2-cffi=20.1.0=py36h9ed2024_1
- astunparse=1.6.3=pyhd8ed1ab_0
- async_generator=1.10=py36h28b3542_0
- attrs=20.3.0=pyhd3eb1b0_0
- backcall=0.2.0=pyhd3eb1b0_0
- blas=1.0=mkl
- bleach=3.3.0=pyhd3eb1b0_0
- blosc=1.21.0=he49afe7_0
- bzip2=1.0.8=h0d85af4_4
- c-ares=1.17.1=h0d85af4_1
- ca-certificates=2021.10.8=h033912b_0
- cantera=2.5.1=py36h2f53751_0
- certifi=2020.12.5=py36h79c6626_1
- cffi=1.14.5=py36h2125817_0
- cycler=0.10.0=py36hecd8cb5_0
- cython=0.29.24=py36h23ab428_0
- decorator=4.4.2=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd3eb1b0_0
- entrypoints=0.3=py36_0
- fftw=3.3.10=nompi_h4024a70_101
- fftw3f=3.3.4=2
- freetype=2.10.4=ha233b18_0
- h5py=2.10.0=py36h0601b69_1
- hdf5=1.10.6=nompi_hc5d9132_1114
- importlib-metadata=3.7.3=py36hecd8cb5_1
- importlib_metadata=3.7.3=hd3eb1b0_1
- intel-openmp=2019.4=233
- ipykernel=5.3.4=py36h5ca1d4c_0
- ipympl=0.8.5=pyhd8ed1ab_0
- ipython=7.16.1=py36h5ca1d4c_0
- ipython_genutils=0.2.0=pyhd3eb1b0_1
- ipywidgets=7.6.5=pyhd8ed1ab_0
- jedi=0.17.0=py36_0
- jinja2=2.11.3=pyhd3eb1b0_0
- jpeg=9b=he5867d9_2
- jsonschema=3.2.0=py_2
- jupyter_client=6.1.12=pyhd3eb1b0_0
- jupyter_core=4.7.1=py36hecd8cb5_0
- jupyterlab_pygments=0.1.2=py_0
- jupyterlab_widgets=1.0.2=pyhd8ed1ab_0
- khronos-opencl-icd-loader=2021.06.30=h0d85af4_1
- kiwisolver=1.3.1=py36h23ab428_0
- krb5=1.17.2=h60d9502_0
- lcms2=2.11=h92f6f08_0
- libblas=3.9.0=1_h508aa58_netlib
- libcblas=3.9.0=3_h3cd88c1_netlib
- libcurl=7.76.0=h8ef9fac_0
- libcxx=11.1.0=habf9029_0
- libedit=3.1.20191231=h0678c8f_2
- libev=4.33=haf1e3a3_1
- libffi=3.3=hb1e8313_2
- libgfortran=5.0.0=9_3_0_h6c81a4c_21
- libgfortran5=9.3.0=h6c81a4c_21
- liblapack=3.9.0=3_h3cd88c1_netlib
- libnghttp2=1.43.0=h07e645a_0
- libpng=1.6.37=ha441bb4_0
- libsodium=1.0.18=h1de35cc_0
- libssh2=1.9.0=h52ee1ee_6
- libtiff=4.2.0=h87d7836_0
- libwebp-base=1.2.0=h9ed2024_0
- libzlib=1.2.11=h9173be1_1013
- llvm-openmp=11.1.0=hda6cdc1_0
- lz4-c=1.9.3=h23ab428_0
- markupsafe=1.1.1=py36h1de35cc_0
- matplotlib=3.3.4=py36hecd8cb5_0
- matplotlib-base=3.3.4=py36h8b3ea08_0
- mdtraj=1.9.7=py36h2f81817_1
- metis=5.1.0=h2e338ed_1006
- mistune=0.8.4=py36h1de35cc_0
- mkl=2019.4=233
- mkl-service=2.3.0=py36h9ed2024_0
- mkl_fft=1.3.0=py36ha059aab_0
- mkl_random=1.1.1=py36h959d312_0
- mock=4.0.3=py36h79c6626_1
- nbclient=0.5.3=pyhd3eb1b0_0
- nbconvert=6.0.7=py36_0
- nbformat=5.1.2=pyhd3eb1b0_1
- ncurses=6.2=h0a44026_1
- nest-asyncio=1.5.1=pyhd3eb1b0_0
- nglview=3.0.3=pyh8a188c0_0
- notebook=6.2.0=py36hecd8cb5_0
- numexpr=2.7.3=py36h16bde0e_0
- numpy=1.19.2=py36h456fd55_0
- numpy-base=1.19.2=py36hcfb5961_0
- ocl_icd_wrapper_apple=1.0.0=hbcb3906_0
- olefile=0.46=py36_0
- openmm=7.6.0=py36hcffba7f_0_khronos
- openssl=1.1.1l=h0d85af4_0
- packaging=20.9=pyhd3eb1b0_0
- pandas=1.1.5=py36hb2f4e1b_0
- pandoc=2.12=hecd8cb5_0
- pandocfilters=1.4.3=py36hecd8cb5_1
- parso=0.8.1=pyhd3eb1b0_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=8.1.2=py36h5270095_0
- pip=21.0.1=py36hecd8cb5_0
- prometheus_client=0.9.0=pyhd3eb1b0_0
- prompt-toolkit=3.0.17=pyh06a4308_0
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pycparser=2.20=py_2
- pygments=2.8.1=pyhd3eb1b0_0
- pyparsing=2.4.7=pyhd3eb1b0_0
- pyrsistent=0.17.3=py36haf1e3a3_0
- pytables=3.6.1=py36h256c1cb_3
- python=3.6.13=h88f2d9e_0
- python-dateutil=2.8.1=pyhd3eb1b0_0
- python_abi=3.6=1_cp36m
- pytz=2021.1=pyhd3eb1b0_0
- pyzmq=20.0.0=py36h23ab428_1
- readline=8.1=h9ed2024_0
- ruamel_yaml=0.15.100=py36h9ed2024_0
- scikits.odes=2.6.1=py36he5f87e8_3
- scipy=1.5.3=py36h04de62b_0
- seaborn=0.11.1=pyhd3eb1b0_0
- send2trash=1.5.0=pyhd3eb1b0_1
- setuptools=52.0.0=py36hecd8cb5_0
- six=1.15.0=py36hecd8cb5_0
- snappy=1.1.8=hb1e8313_3
- sqlite=3.35.3=hce871da_0
- suitesparse=5.7.2=hbcae1ed_0
- sundials=5.6.1=hf695397_0
- tbb=2020.2=h940c156_4
- terminado=0.9.4=py36hecd8cb5_0
- testpath=0.4.4=pyhd3eb1b0_0
- tk=8.6.10=hb0a8c7a_0
- tornado=6.1=py36h9ed2024_0
- traitlets=4.3.3=py36_0
- typing_extensions=3.7.4.3=pyha847dfd_0
- wcwidth=0.2.5=py_0
- webencodings=0.5.1=py36_1
- wheel=0.36.2=pyhd3eb1b0_0
- widgetsnbextension=3.5.1=pyh9f0ad1d_3
- xz=5.2.5=h1de35cc_0
- yaml=0.2.5=haf1e3a3_0
- zeromq=4.3.4=h23ab428_0
- zipp=3.4.1=pyhd3eb1b0_0
- zlib=1.2.11=h9173be1_1013
- zstd=1.4.5=h41d2c2f_0
- pip:
- py3dmol==1.7.0
prefix: /opt/anaconda3/envs/chem