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environment.yml
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name: navicatGA
channels:
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_gnu
- alive-progress=1.6.2=pyhd3deb0d_0
- attrs=20.3.0=pyhd3eb1b0_0
- boost=1.74.0=py39hcd82cac_2
- boost-cpp=1.74.0=h9d3c048_1
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2020.12.5=ha878542_0
- cairo=1.16.0=h7979940_1007
- certifi=2020.12.5=py39hf3d152e_1
- cycler=0.10.0=py_2
- fontconfig=2.13.1=hba837de_1004
- freetype=2.10.4=h0708190_1
- gettext=0.19.8.1=h0b5b191_1005
- icu=68.1=h58526e2_0
- importlib-metadata=2.0.0=py_1
- importlib_metadata=2.0.0=1
- iniconfig=1.1.1=py_0
- jpeg=9d=h36c2ea0_0
- kiwisolver=1.3.1=py39h1a9c180_1
- lcms2=2.11=hcbb858e_1
- ld_impl_linux-64=2.35.1=hea4e1c9_1
- libblas=3.9.0=7_openblas
- libcblas=3.9.0=7_openblas
- libffi=3.3=h58526e2_2
- libgcc-ng=9.3.0=h2828fa1_18
- libgfortran-ng=9.3.0=hff62375_18
- libgfortran5=9.3.0=hff62375_18
- libglib=2.66.4=h164308a_1
- libgomp=9.3.0=h2828fa1_18
- libiconv=1.16=h516909a_0
- liblapack=3.9.0=7_openblas
- libopenblas=0.3.12=pthreads_h4812303_1
- libpng=1.6.37=h21135ba_2
- libstdcxx-ng=9.3.0=h6de172a_18
- libtiff=4.2.0=hdc55705_0
- libuuid=2.32.1=h7f98852_1000
- libwebp-base=1.1.0=h36c2ea0_3
- libxcb=1.13=h7f98852_1003
- libxml2=2.9.10=h72842e0_3
- lz4-c=1.9.3=h9c3ff4c_0
- matplotlib-base=3.3.3=py39h2fa2bec_0
- more-itertools=8.6.0=pyhd3eb1b0_0
- ncurses=6.2=h58526e2_4
- numpy=1.19.5=py39hdbf815f_1
- olefile=0.46=pyh9f0ad1d_1
- openssl=1.1.1j=h7f98852_0
- packaging=20.8=pyhd3eb1b0_0
- pandas=1.2.2=py39hde0f152_0
- pcre=8.44=he1b5a44_0
- pillow=8.1.0=py39h2bb83ca_1
- pip=20.3.3=pyhd8ed1ab_0
- pixman=0.40.0=h36c2ea0_0
- pluggy=0.12.0=py_0
- pthread-stubs=0.4=h36c2ea0_1001
- py=1.10.0=pyhd3eb1b0_0
- pycairo=1.20.0=py39h08627d8_1
- pyparsing=2.4.7=pyh9f0ad1d_0
- pytest=6.2.1=py39h06a4308_0
- python=3.9.1=hffdb5ce_3_cpython
- python-dateutil=2.8.1=py_0
- python_abi=3.9=1_cp39
- pytz=2020.5=pyhd8ed1ab_0
- rdkit=2020.09.3=py39hccf6a74_0
- readline=8.0=he28a2e2_2
- reportlab=3.5.59=py39he59360d_0
- selfies=1.0.3=pyhd8ed1ab_0
- setuptools=49.6.0=py39hf3d152e_3
- six=1.15.0=pyh9f0ad1d_0
- sqlalchemy=1.3.22=py39h3811e60_1
- sqlite=3.34.0=h74cdb3f_0
- tk=8.6.10=h21135ba_1
- toml=0.10.1=py_0
- tornado=6.1=py39h3811e60_1
- tzdata=2020f=he74cb21_0
- wheel=0.36.2=pyhd3deb0d_0
- xlrd=2.0.1=pyhd8ed1ab_3
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.0.10=h516909a_0
- xorg-libsm=1.2.3=h84519dc_1000
- xorg-libx11=1.6.12=h516909a_0
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-libxrender=0.9.10=h516909a_1002
- xorg-renderproto=0.11.1=h14c3975_1002
- xorg-xextproto=7.3.0=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.5=h516909a_1
- zipp=3.4.0=pyhd3eb1b0_0
- zlib=1.2.11=h516909a_1010
- zstd=1.4.8=ha95c52a_1
- pip:
- aarontools==1.0b7
- h5py==3.2.1
- jinja2==3.0.1
- matter-chimera==1.0
- pyscf==1.7.6.post1