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requirements.txt
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_libgcc_mutex=0.1=conda_forge
_openmp_mutex=4.5=1_gnu
alsa-lib=1.2.3=h516909a_0
anyio=3.3.0=py39hf3d152e_0
appmode=0.8.0=py39hf3d152e_2
argon2-cffi=20.1.0=py39h3811e60_2
ase=3.22.0=pyhd8ed1ab_0
async_generator=1.10=py_0
attrs=21.2.0=pyhd8ed1ab_0
babel=2.9.1=pyh44b312d_0
backcall=0.2.0=pyh9f0ad1d_0
backports=1.0=py_2
backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
beautifulsoup4=4.10.0=pyh06a4308_0
blas=1.0=openblas
bleach=4.1.0=pyhd8ed1ab_0
bottleneck=1.3.2=py39hdd57654_1
brotlipy=0.7.0=py39h3811e60_1001
bzip2=1.0.8=h7f98852_4
c-ares=1.17.2=h7f98852_0
ca-certificates=2022.3.29=h06a4308_0
cairo=1.16.0=h6cf1ce9_1008
certifi=2021.10.8=py39h06a4308_2
cffi=1.14.6=py39he32792d_0
chardet=4.0.0=py39hf3d152e_1
charset-normalizer=2.0.0=pyhd8ed1ab_0
click=8.0.1=py39hf3d152e_0
cryptography=3.4.7=py39hbca0aa6_0
curl=7.78.0=hea6ffbf_0
cycler=0.10.0=py_2
dataclasses=0.8=pyhc8e2a94_3
dbus=1.13.6=h48d8840_2
debugpy=1.4.1=py39he80948d_0
decorator=5.0.9=pyhd8ed1ab_0
defusedxml=0.7.1=pyhd8ed1ab_0
entrypoints=0.3=pyhd8ed1ab_1003
et_xmlfile=1.0.1=py_1001
expat=2.4.1=h9c3ff4c_0
fftw=3.3.9=nompi_h74d3f13_101
flask=2.0.1=pyhd8ed1ab_0
fontconfig=2.13.1=hba837de_1005
fox=4.1.2=h1990efc_2
freetype=2.10.4=h0708190_1
gettext=0.19.8.1=h0b5b191_1005
glib=2.68.4=h9c3ff4c_0
glib-tools=2.68.4=h9c3ff4c_0
gmp=6.1.2=hfc679d8_0
gst-plugins-base=1.18.5=hf529b03_0
gstreamer=1.18.5=h76c114f_0
hdf4=4.2.15=h10796ff_3
hdf5=1.10.6=mpi_openmpi_hd9270da_1014
icu=68.1=h58526e2_0
idna=3.1=pyhd3deb0d_0
importlib-metadata=4.8.1=py39hf3d152e_0
ipyfilechooser=0.6.0=pyhd8ed1ab_0
ipykernel=6.4.0=py39hef51801_0
ipympl=0.7.0=pyhd3eb1b0_0
ipysheet=0.5.0=pyhd8ed1ab_0
ipython=7.27.0=py39hef51801_0
ipython_genutils=0.2.0=py_1
ipywidgets=7.5.1=py_1
itsdangerous=2.0.1=pyhd8ed1ab_0
jbig=2.1=h7f98852_2003
jdcal=1.4.1=py_0
jedi=0.18.0=py39hf3d152e_2
jinja2=3.0.1=pyhd8ed1ab_0
jpeg=9d=h36c2ea0_0
json5=0.9.5=pyh9f0ad1d_0
jsonschema=3.2.0=pyhd8ed1ab_3
jupyter=1.0.0=py39hf3d152e_6
jupyter_client=6.1.12=pyhd8ed1ab_0
jupyter_console=6.4.0=pyhd8ed1ab_0
jupyter_core=4.7.1=py39hf3d152e_0
jupyter_server=1.7.0=py39hf3d152e_1
jupyterlab=3.1.11=pyhd8ed1ab_0
jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
jupyterlab_server=2.8.1=pyhd8ed1ab_0
jupyterlab_widgets=1.0.2=pyhd8ed1ab_0
kiwisolver=1.3.2=py39h1a9c180_0
krb5=1.19.2=hcc1bbae_0
lcms2=2.12=hddcbb42_0
ld_impl_linux-64=2.36.1=hea4e1c9_2
lerc=2.2.1=h9c3ff4c_0
libblas=3.9.0=11_linux64_openblas
libcblas=3.9.0=11_linux64_openblas
libclang=11.1.0=default_ha53f305_1
libcurl=7.78.0=h2574ce0_0
libdeflate=1.7=h7f98852_5
libedit=3.1.20191231=he28a2e2_2
libev=4.33=h516909a_1
libevent=2.1.10=hcdb4288_3
libffi=3.3=h58526e2_2
libgcc-ng=11.1.0=hc902ee8_8
libgfortran-ng=11.1.0=h69a702a_8
libgfortran5=11.1.0=h6c583b3_8
libglib=2.68.4=h3e27bee_0
libgomp=11.1.0=hc902ee8_8
libiconv=1.16=h516909a_0
liblapack=3.9.0=11_linux64_openblas
libllvm11=11.1.0=hf817b99_2
libnetcdf=4.7.4=mpi_openmpi_hfaf6618_7
libnghttp2=1.43.0=h812cca2_0
libogg=1.3.4=h7f98852_1
libopenblas=0.3.17=pthreads_h8fe5266_1
libopus=1.3.1=h7f98852_1
libpng=1.6.37=h21135ba_2
libpq=13.3=hd57d9b9_0
libsodium=1.0.18=h36c2ea0_1
libssh2=1.10.0=ha56f1ee_0
libstdcxx-ng=11.1.0=h56837e0_8
libtiff=4.3.0=hf544144_1
libuuid=2.32.1=h7f98852_1000
libuv=1.42.0=h7f98852_0
libvorbis=1.3.7=h9c3ff4c_0
libwebp-base=1.2.1=h7f98852_0
libxcb=1.13=h7f98852_1003
libxkbcommon=1.0.3=he3ba5ed_0
libxml2=2.9.12=h72842e0_0
lz4-c=1.9.3=h9c3ff4c_1
markupsafe=2.0.1=py39h3811e60_0
matplotlib=3.4.3=py39hf3d152e_2
matplotlib-base=3.4.3=py39h2fa2bec_0
matplotlib-inline=0.1.3=pyhd8ed1ab_0
mistune=0.8.4=py39h3811e60_1004
mpi=1.0=openmpi
mysql-common=8.0.25=ha770c72_2
mysql-libs=8.0.25=hfa10184_2
nbclassic=0.2.6=pyhd3eb1b0_0
nbclient=0.5.4=pyhd8ed1ab_0
nbconvert=6.4.4=py39h06a4308_0
nbformat=5.1.3=pyhd8ed1ab_0
ncurses=6.2=h58526e2_4
nest-asyncio=1.5.1=pyhd8ed1ab_0
netcdf-fortran=4.5.3=mpi_openmpi_hdd2867b_3
nglview=3.0.3=pyh8a188c0_0
nodejs=16.10.0=h92b4a50_0
notebook=6.4.3=pyha770c72_0
nspr=4.30=h9c3ff4c_0
nss=3.69=hb5efdd6_0
numexpr=2.7.3=py39h4be448d_1
numpy=1.21.2=py39hdbf815f_0
olefile=0.46=pyh9f0ad1d_1
openbabel=3.1.1=py39hee2736e_2
openjpeg=2.4.0=hb52868f_1
openmpi=4.1.1=hbfc84c5_0
openpyxl=3.0.5=py_0
openssl=1.1.1n=h7f8727e_0
packaging=21.0=pyhd8ed1ab_0
pandas=1.3.2=py39h8c16a72_0
pandoc=2.5=0
pandocfilters=1.4.2=py_1
parso=0.8.2=pyhd8ed1ab_0
pcre=8.45=h9c3ff4c_0
pexpect=4.8.0=pyh9f0ad1d_2
pickleshare=0.7.5=py_1003
pillow=8.3.2=py39ha612740_0
pip=21.2.4=pyhd8ed1ab_0
pixman=0.40.0=h36c2ea0_0
prometheus_client=0.11.0=pyhd8ed1ab_0
prompt-toolkit=3.0.20=pyha770c72_0
prompt_toolkit=3.0.20=hd8ed1ab_0
pscript=0.7.5=pyhd3deb0d_0
pthread-stubs=0.4=h36c2ea0_1001
ptyprocess=0.7.0=pyhd3deb0d_0
py3dmol=1.7.0=pyhd8ed1ab_0
pycparser=2.20=pyh9f0ad1d_2
pygments=2.10.0=pyhd8ed1ab_0
pyopenssl=20.0.1=pyhd8ed1ab_0
pyparsing=2.4.7=pyh9f0ad1d_0
pyqt=5.12.3=py39hf3d152e_7
pyqt-impl=5.12.3=py39h0fcd23e_7
pyqt5-sip=4.19.18=py39he80948d_7
pyqtchart=5.12=py39h0fcd23e_7
pyqtwebengine=5.12.1=py39h0fcd23e_7
pyrsistent=0.17.3=py39h3811e60_2
pysocks=1.7.1=py39hf3d152e_3
python=3.9.7=h49503c6_0_cpython
python-dateutil=2.8.2=pyhd8ed1ab_0
python_abi=3.9=2_cp39
pytz=2021.1=pyhd8ed1ab_0
pyzmq=22.2.1=py39h37b5a0c_0
qt=5.12.9=hda022c4_4
qtconsole=5.1.1=pyhd8ed1ab_0
qtpy=1.11.0=pyhd8ed1ab_0
readline=8.1=h46c0cb4_0
requests=2.26.0=pyhd8ed1ab_0
scalapack=2.1.0=hbbb7b4b_0
scipy=1.7.1=py39hee8e79c_0
send2trash=1.8.0=pyhd8ed1ab_0
setuptools=58.0.4=py39hf3d152e_0
siesta=4.1.5=mpi_openmpi_hfab99a0_1
six=1.16.0=pyh6c4a22f_0
sniffio=1.2.0=py39hf3d152e_1
soupsieve=2.3.1=pyhd3eb1b0_0
sqlite=3.36.0=h9cd32fc_1
terminado=0.12.1=py39hf3d152e_0
testpath=0.5.0=pyhd8ed1ab_0
tk=8.6.11=h27826a3_1
tornado=6.1=py39h3811e60_1
traitlets=5.1.0=pyhd8ed1ab_0
tzdata=2021a=he74cb21_1
urllib3=1.26.6=pyhd8ed1ab_0
voila=0.2.11=pyhd8ed1ab_1
wcwidth=0.2.5=pyh9f0ad1d_2
webencodings=0.5.1=py_1
websocket-client=0.57.0=py39hf3d152e_4
werkzeug=2.0.1=pyhd8ed1ab_0
wheel=0.37.0=pyhd8ed1ab_1
widgetsnbextension=3.5.1=py39h06a4308_0
xorg-kbproto=1.0.7=h7f98852_1002
xorg-libice=1.0.10=h7f98852_0
xorg-libsm=1.2.3=hd9c2040_1000
xorg-libx11=1.7.2=h7f98852_0
xorg-libxau=1.0.9=h7f98852_0
xorg-libxdmcp=1.1.3=h7f98852_0
xorg-libxext=1.3.4=h7f98852_1
xorg-libxrender=0.9.10=h7f98852_1003
xorg-renderproto=0.11.1=h7f98852_1002
xorg-xextproto=7.3.0=h7f98852_1002
xorg-xproto=7.0.31=h7f98852_1007
xz=5.2.5=h516909a_1
zeromq=4.3.4=h9c3ff4c_1
zipp=3.5.0=pyhd8ed1ab_0
zlib=1.2.11=h516909a_1010
zstd=1.5.0=ha95c52a_0