Release Notes

Version 0.9.10

  • Examples for remote storage (eg AWS S3 and Azure Blob)

  • Adding RDKit dependency for a base class RDKitBase that is used by several examples’ derived classes.

  • Adding example for downloading OPV database info and analyzing with RDKit

  • Adding extra setup python files to tailor installs for app/cloud and (un)licensed versions

  • Freezing Miniconda version to version Miniconda3-py37_4.8.3-platform-x86_64.sh”

Dependencies

# Name                    Version                   Build  Channel
adal                      1.2.4              pyh9f0ad1d_0    conda-forge
appnope                   0.1.0           py37hc8dfbb8_1001    conda-forge
argon2-cffi               20.1.0           py37h60d8a13_1    conda-forge
attrs                     20.1.0             pyh9f0ad1d_0    conda-forge
azure-common              1.1.24                     py_0    conda-forge
azure-core                1.8.0              pyh9f0ad1d_0    conda-forge
azure-mgmt-compute        9.0.0                      py_0    conda-forge
azure-mgmt-network        10.2.0                     py_0    conda-forge
azure-mgmt-resource       6.0.0                      py_0    conda-forge
azure-nspkg               3.0.2                      py_0    conda-forge
azure-storage-blob        12.4.0             pyh9f0ad1d_0    conda-forge
backcall                  0.2.0              pyh9f0ad1d_0    conda-forge
backports                 1.0                        py_2    conda-forge
backports.functools_lru_cache 1.6.1                      py_0    conda-forge
bcrypt                    3.2.0            py37h60d8a13_0    conda-forge
bleach                    3.1.5              pyh9f0ad1d_0    conda-forge
blinker                   1.4                        py_1    conda-forge
bokeh                     2.2.0            py37hc8dfbb8_0    conda-forge
boost                     1.72.0           py37hbf1eeb5_0    conda-forge
boost-cpp                 1.72.0               hdf9ef73_0    conda-forge
boto3                     1.14.53            pyh9f0ad1d_0    conda-forge
botocore                  1.17.53            pyh9f0ad1d_0    conda-forge
brotlipy                  0.7.0           py37h9bfed18_1000    conda-forge
bzip2                     1.0.8                haf1e3a3_3    conda-forge
ca-certificates           2020.6.20            hecda079_0    conda-forge
cairo                     1.16.0            hec6a9b0_1003    conda-forge
certifi                   2020.6.20        py37hc8dfbb8_0    conda-forge
cffi                      1.14.1           py37hf5b7abd_0    conda-forge
chardet                   3.0.4           py37hc8dfbb8_1006    conda-forge
chemistream               0.9.10                   pypi_0    pypi
click                     7.1.2              pyh9f0ad1d_0    conda-forge
cloudpickle               1.6.0                      py_0    conda-forge
conda                     4.8.4            py37hc8dfbb8_2    conda-forge
conda-package-handling    1.7.0            py37h60d8a13_4    conda-forge
cryptography              3.1              py37h94e4008_0    conda-forge
cytoolz                   0.10.1           py37h0b31af3_0    conda-forge
dask                      2.25.0                     py_0    conda-forge
dask-core                 2.25.0                     py_0    conda-forge
dbus                      1.13.6               h2f22bb5_0    conda-forge
decorator                 4.4.2                      py_0    conda-forge
defusedxml                0.6.0                      py_0    conda-forge
distributed               2.25.0           py37hc8dfbb8_0    conda-forge
docutils                  0.15.2                   py37_0    conda-forge
entrypoints               0.3             py37hc8dfbb8_1001    conda-forge
expat                     2.2.9                hb1e8313_2    conda-forge
fontconfig                2.13.1            h6b1039f_1001    conda-forge
freetype                  2.10.2               h8da9a1a_0    conda-forge
fsspec                    0.8.0                      py_0    conda-forge
gettext                   0.19.8.1          h46ab8bc_1002    conda-forge
glib                      2.65.0               h577aef8_0    conda-forge
graphviz                  2.42.3               h98dfb87_0    conda-forge
heapdict                  1.0.1                      py_0    conda-forge
icu                       64.2                 h6de7cb9_1    conda-forge
idna                      2.10               pyh9f0ad1d_0    conda-forge
importlib-metadata        1.7.0            py37hc8dfbb8_0    conda-forge
importlib_metadata        1.7.0                         0    conda-forge
ipykernel                 5.3.4            py37h43977f1_0    conda-forge
ipython                   7.18.1           py37hc6149b9_0    conda-forge
ipython_genutils          0.2.0                      py_1    conda-forge
ipywidgets                7.5.1                      py_0    conda-forge
isodate                   0.6.0                      py_1    conda-forge
jedi                      0.17.2           py37hc8dfbb8_0    conda-forge
jinja2                    2.11.2             pyh9f0ad1d_0    conda-forge
jmespath                  0.10.0             pyh9f0ad1d_0    conda-forge
jpeg                      9d                   h0b31af3_0    conda-forge
json5                     0.9.4              pyh9f0ad1d_0    conda-forge
jsonschema                3.2.0            py37hc8dfbb8_1    conda-forge
jupyter                   1.0.0                      py_2    conda-forge
jupyter_client            6.1.7                      py_0    conda-forge
jupyter_console           6.2.0                      py_0    conda-forge
jupyter_core              4.6.3            py37hc8dfbb8_1    conda-forge
jupyterlab                2.1.0                      py_1    conda-forge
jupyterlab_server         1.2.0                      py_0    conda-forge
keyring                   21.4.0           py37hc8dfbb8_0    conda-forge
krb5                      1.17.1               h75d18d8_3    conda-forge
lcms2                     2.11                 h174193d_0    conda-forge
libblas                   3.8.0               17_openblas    conda-forge
libcblas                  3.8.0               17_openblas    conda-forge
libclang                  9.0.1           default_hf57f61e_0    conda-forge
libcxx                    10.0.1               h5f48129_0    conda-forge
libedit                   3.1.20191231         h0678c8f_2    conda-forge
libffi                    3.2.1             hb1e8313_1007    conda-forge
libgfortran               4.0.0                         3    conda-forge
libgfortran4              7.5.0                h1565451_3    conda-forge
libiconv                  1.16                 haf1e3a3_0    conda-forge
liblapack                 3.8.0               17_openblas    conda-forge
libllvm9                  9.0.1                h7475705_1    conda-forge
libopenblas               0.3.10          openmp_h63d9170_4    conda-forge
libpng                    1.6.37               hb0a8c7a_2    conda-forge
libpq                     12.3                 h489d428_0    conda-forge
libsodium                 1.0.18               h01d97ff_0    conda-forge
libtiff                   4.1.0                h2ae36a8_6    conda-forge
libuv                     1.32.0               h01d97ff_0    conda-forge
libwebp-base              1.1.0                h0b31af3_3    conda-forge
libxml2                   2.9.10               h53d96d6_0    conda-forge
llvm-openmp               10.0.1               h28b9765_0    conda-forge
locket                    0.2.0                      py_2    conda-forge
lz4-c                     1.9.2                hb1e8313_3    conda-forge
makalii                   0.9.0                    pypi_0    pypi
markupsafe                1.1.1            py37h9bfed18_1    conda-forge
mistune                   0.8.4           py37h9bfed18_1001    conda-forge
msgpack-python            1.0.0            py37ha1cc60f_1    conda-forge
msrest                    0.6.18             pyh9f0ad1d_0    conda-forge
msrestazure               0.6.2                      py_0    conda-forge
nbconvert                 5.6.1            py37hc8dfbb8_1    conda-forge
nbformat                  5.0.7                      py_0    conda-forge
ncurses                   6.2                  hb1e8313_1    conda-forge
nodejs                    10.16.3              hec2bf70_0    conda-forge
notebook                  6.1.3            py37hc8dfbb8_0    conda-forge
nspr                      4.20              h0a44026_1000    conda-forge
nss                       3.47                 hc0980d9_0    conda-forge
numpy                     1.19.1           py37h1efc2f6_2    conda-forge
oauthlib                  3.0.1                      py_0    conda-forge
olefile                   0.46                       py_0    conda-forge
openssl                   1.1.1g               haf1e3a3_1    conda-forge
packaging                 20.4               pyh9f0ad1d_0    conda-forge
pandas                    1.1.1            py37hdadc0f0_0    conda-forge
pandoc                    2.10.1               haf1e3a3_0    conda-forge
pandocfilters             1.4.2                      py_1    conda-forge
paramiko                  2.7.2              pyh9f0ad1d_0    conda-forge
parso                     0.7.1              pyh9f0ad1d_0    conda-forge
partd                     1.1.0                      py_0    conda-forge
pcre                      8.44                 h4a8c4bd_0    conda-forge
pexpect                   4.8.0            py37hc8dfbb8_1    conda-forge
pickleshare               0.7.5           py37hc8dfbb8_1001    conda-forge
pillow                    7.2.0            py37hfd78ece_1    conda-forge
pip                       20.2.2                     py_0    conda-forge
pixman                    0.38.0            h01d97ff_1003    conda-forge
prettytable               0.7.2                      py_3    conda-forge
prometheus_client         0.8.0              pyh9f0ad1d_0    conda-forge
prompt-toolkit            3.0.7                      py_0    conda-forge
prompt_toolkit            3.0.7                         0    conda-forge
psutil                    5.7.2            py37h60d8a13_0    conda-forge
ptyprocess                0.6.0                   py_1001    conda-forge
py3dmol                   0.8.0                      py_0    conda-forge
pycairo                   1.19.1           py37h4e38901_3    conda-forge
pycosat                   0.6.3           py37h9bfed18_1004    conda-forge
pycparser                 2.20               pyh9f0ad1d_2    conda-forge
pygments                  2.6.1                      py_0    conda-forge
pyjwt                     1.7.1                      py_0    conda-forge
pynacl                    1.3.0           py37h0b31af3_1001    conda-forge
pyopenssl                 19.1.0                     py_1    conda-forge
pyparsing                 2.4.7              pyh9f0ad1d_0    conda-forge
pyqt                      5.12.3           py37ha62fc16_3    conda-forge
pyqt5-sip                 4.19.18                  pypi_0    pypi
pyqtchart                 5.12                     pypi_0    pypi
pyqtwebengine             5.12.1                   pypi_0    pypi
pyrsistent                0.16.0           py37h9bfed18_0    conda-forge
pysocks                   1.7.1            py37hc8dfbb8_1    conda-forge
python                    3.7.8           hc9dea61_1_cpython    conda-forge
python-dateutil           2.8.1                      py_0    conda-forge
python-graphviz           0.14.1             pyh9f0ad1d_0    conda-forge
python_abi                3.7                     1_cp37m    conda-forge
pytz                      2020.1             pyh9f0ad1d_0    conda-forge
pyyaml                    5.3.1            py37h9bfed18_0    conda-forge
pyzmq                     19.0.2           py37hf1e22d8_0    conda-forge
qt                        5.12.5               h514805e_3    conda-forge
qtconsole                 4.7.6              pyh9f0ad1d_0    conda-forge
qtpy                      1.9.0                      py_0    conda-forge
rdkit                     2020.03.5        py37h2ff72f9_0    conda-forge
readline                  8.0                  h0678c8f_2    conda-forge
requests                  2.24.0             pyh9f0ad1d_0    conda-forge
requests-oauthlib         1.3.0              pyh9f0ad1d_0    conda-forge
ruamel_yaml               0.15.80         py37h60d8a13_1002    conda-forge
s3transfer                0.3.3            py37hc8dfbb8_1    conda-forge
scp                       0.13.2                     py_0    conda-forge
send2trash                1.5.0                      py_0    conda-forge
setuptools                49.6.0           py37hc8dfbb8_0    conda-forge
six                       1.15.0             pyh9f0ad1d_0    conda-forge
sortedcontainers          2.2.2              pyh9f0ad1d_0    conda-forge
sqlite                    3.33.0               h960bd1c_0    conda-forge
sshtunnel                 0.1.5                         0    conda-forge
tblib                     1.6.0                      py_0    conda-forge
terminado                 0.8.3            py37hc8dfbb8_1    conda-forge
testpath                  0.4.4                      py_0    conda-forge
tk                        8.6.10               hb0a8c7a_0    conda-forge
toolz                     0.10.0                     py_0    conda-forge
tornado                   6.0.4            py37h9bfed18_1    conda-forge
tqdm                      4.48.2             pyh9f0ad1d_0    conda-forge
traitlets                 4.3.3            py37hc8dfbb8_1    conda-forge
typing_extensions         3.7.4.2                    py_0    conda-forge
urllib3                   1.25.10                    py_0    conda-forge
wcwidth                   0.2.5              pyh9f0ad1d_1    conda-forge
webencodings              0.5.1                      py_1    conda-forge
wheel                     0.35.1             pyh9f0ad1d_0    conda-forge
widgetsnbextension        3.5.1            py37hc8dfbb8_1    conda-forge
xz                        5.2.5                haf1e3a3_1    conda-forge
yaml                      0.2.5                haf1e3a3_0    conda-forge
zeromq                    4.3.2                h4a8c4bd_3    conda-forge
zict                      2.0.0                      py_0    conda-forge
zipp                      3.1.0                      py_0    conda-forge
zlib                      1.2.11            h7795811_1009    conda-forge
zstd                      1.4.5                h289c70a_2    conda-forge

Version 0.9.8

  • Examples for machine learning, image recognition for ‘Digits’ and ‘Fashion’

  • Example for neural net prediction of bond dissociation energies using Alfabet

  • Example for complex P3HT workflow

Dependencies

# Name                    Version                   Build  Channel
adal                      1.2.2                      py_0    conda-forge
appnope                   0.1.0           py37hc8dfbb8_1001    conda-forge
attrs                     19.3.0                     py_0    conda-forge
azure-common              1.1.24                     py_0    conda-forge
azure-mgmt-compute        9.0.0                      py_0    conda-forge
azure-mgmt-network        10.2.0                     py_0    conda-forge
azure-mgmt-resource       6.0.0                      py_0    conda-forge
azure-nspkg               3.0.2                      py_0    conda-forge
backcall                  0.1.0                      py_0    conda-forge
bcrypt                    3.1.7            py37h9bfed18_1    conda-forge
bleach                    3.1.5              pyh9f0ad1d_0    conda-forge
blinker                   1.4                        py_1    conda-forge
bokeh                     2.0.1            py37hc8dfbb8_0    conda-forge
boto3                     1.13.8             pyh9f0ad1d_0    conda-forge
botocore                  1.16.8             pyh9f0ad1d_0    conda-forge
brotlipy                  0.7.0           py37h9bfed18_1000    conda-forge
ca-certificates           2020.4.5.1           hecc5488_0    conda-forge
certifi                   2020.4.5.1       py37hc8dfbb8_0    conda-forge
cffi                      1.14.0           py37h356ff06_0    conda-forge
chardet                   3.0.4           py37hc8dfbb8_1006    conda-forge
chemistream               0.9.8                    pypi_0    pypi
click                     7.1.2              pyh9f0ad1d_0    conda-forge
cloudpickle               1.4.1                      py_0    conda-forge
conda                     4.8.3            py37hc8dfbb8_1    conda-forge
conda-package-handling    1.6.0            py37h9bfed18_2    conda-forge
cryptography              2.9.2            py37he655712_0    conda-forge
cytoolz                   0.10.1           py37h0b31af3_0    conda-forge
dask                      2.16.0                     py_0    conda-forge
dask-core                 2.16.0                     py_0    conda-forge
dbus                      1.13.6               h2f22bb5_0    conda-forge
decorator                 4.4.2                      py_0    conda-forge
defusedxml                0.6.0                      py_0    conda-forge
distributed               2.16.0           py37hc8dfbb8_0    conda-forge
docutils                  0.15.2                   py37_0    conda-forge
entrypoints               0.3             py37hc8dfbb8_1001    conda-forge
expat                     2.2.9                h4a8c4bd_2    conda-forge
freetype                  2.10.2               h8da9a1a_0    conda-forge
fsspec                    0.7.3                      py_0    conda-forge
gettext                   0.19.8.1          h46ab8bc_1002    conda-forge
glib                      2.64.2               h577aef8_0    conda-forge
graphviz                  2.42.3               h98dfb87_0    conda-forge
heapdict                  1.0.1                      py_0    conda-forge
icu                       64.2                 h6de7cb9_1    conda-forge
idna                      2.9                        py_1    conda-forge
importlib-metadata        1.6.0            py37hc8dfbb8_0    conda-forge
importlib_metadata        1.6.0                         0    conda-forge
ipykernel                 5.2.1            py37h43977f1_0    conda-forge
ipython                   7.14.0           py37hc8dfbb8_0    conda-forge
ipython_genutils          0.2.0                      py_1    conda-forge
ipywidgets                7.5.1                      py_0    conda-forge
isodate                   0.6.0                      py_1    conda-forge
jedi                      0.17.0           py37hc8dfbb8_0    conda-forge
jinja2                    2.11.2             pyh9f0ad1d_0    conda-forge
jmespath                  0.10.0             pyh9f0ad1d_0    conda-forge
jpeg                      9c                h1de35cc_1001    conda-forge
json5                     0.9.0                      py_0    conda-forge
jsonschema                3.2.0            py37hc8dfbb8_1    conda-forge
jupyter                   1.0.0                      py_2    conda-forge
jupyter_client            6.1.3                      py_0    conda-forge
jupyter_console           6.1.0                      py_1    conda-forge
jupyter_core              4.6.3            py37hc8dfbb8_1    conda-forge
jupyterlab                2.1.0                      py_1    conda-forge
jupyterlab_server         1.1.3                      py_0    conda-forge
keyring                   21.2.1           py37hc8dfbb8_0    conda-forge
krb5                      1.17.1               h1752a42_0    conda-forge
libblas                   3.8.0               16_openblas    conda-forge
libcblas                  3.8.0               16_openblas    conda-forge
libclang                  9.0.1           default_hf57f61e_0    conda-forge
libcxx                    10.0.0               h1af66ff_2    conda-forge
libedit                   3.1.20170329      hcfe32e1_1001    conda-forge
libffi                    3.2.1             h4a8c4bd_1007    conda-forge
libgfortran               4.0.0                         2    conda-forge
libiconv                  1.15              h0b31af3_1006    conda-forge
liblapack                 3.8.0               16_openblas    conda-forge
libllvm9                  9.0.1                h7475705_1    conda-forge
libopenblas               0.3.9                h3d69b6c_0    conda-forge
libpng                    1.6.37               hbbe82c9_1    conda-forge
libpq                     12.2                 h489d428_1    conda-forge
libsodium                 1.0.17               h01d97ff_0    conda-forge
libtiff                   4.1.0                h2ae36a8_6    conda-forge
libuv                     1.32.0               h01d97ff_0    conda-forge
libwebp-base              1.1.0                h0b31af3_3    conda-forge
llvm-openmp               10.0.0               h28b9765_0    conda-forge
locket                    0.2.0                      py_2    conda-forge
lz4-c                     1.9.2                h4a8c4bd_1    conda-forge
makalii                   0.9.0                    pypi_0    pypi
markupsafe                1.1.1            py37h9bfed18_1    conda-forge
mistune                   0.8.4           py37h9bfed18_1001    conda-forge
msgpack-python            1.0.0            py37ha1cc60f_1    conda-forge
msrest                    0.6.10                     py_0    conda-forge
msrestazure               0.6.2                      py_0    conda-forge
nbconvert                 5.6.1            py37hc8dfbb8_1    conda-forge
nbformat                  5.0.6                      py_0    conda-forge
ncurses                   6.1               h0a44026_1002    conda-forge
nodejs                    10.16.3              hec2bf70_0    conda-forge
notebook                  6.0.3            py37hc8dfbb8_0    conda-forge
nspr                      4.20              h0a44026_1000    conda-forge
nss                       3.47                 hc0980d9_0    conda-forge
numpy                     1.18.4           py37h7687784_0    conda-forge
oauthlib                  3.0.1                      py_0    conda-forge
olefile                   0.46                       py_0    conda-forge
openssl                   1.1.1g               h0b31af3_0    conda-forge
packaging                 20.1                       py_0    conda-forge
pandas                    1.0.3            py37h94625e5_1    conda-forge
pandoc                    2.9.2.1                       0    conda-forge
pandocfilters             1.4.2                      py_1    conda-forge
paramiko                  2.7.1                    py37_0    conda-forge
parso                     0.7.0              pyh9f0ad1d_0    conda-forge
partd                     1.1.0                      py_0    conda-forge
pcre                      8.44                 h4a8c4bd_0    conda-forge
pexpect                   4.8.0            py37hc8dfbb8_1    conda-forge
pickleshare               0.7.5           py37hc8dfbb8_1001    conda-forge
pillow                    7.1.2            py37hfd78ece_0    conda-forge
pip                       20.1               pyh9f0ad1d_0    conda-forge
prettytable               0.7.2                      py_3    conda-forge
prometheus_client         0.7.1                      py_0    conda-forge
prompt-toolkit            3.0.5                      py_0    conda-forge
prompt_toolkit            3.0.5                         0    conda-forge
psutil                    5.7.0            py37h9bfed18_1    conda-forge
ptyprocess                0.6.0                   py_1001    conda-forge
py3dmol                   0.8.0                      py_0    conda-forge
pycosat                   0.6.3           py37h9bfed18_1004    conda-forge
pycparser                 2.20                       py_0    conda-forge
pygments                  2.6.1                      py_0    conda-forge
pyjwt                     1.7.1                      py_0    conda-forge
pynacl                    1.3.0           py37h0b31af3_1001    conda-forge
pyopenssl                 19.1.0                     py_1    conda-forge
pyparsing                 2.4.7              pyh9f0ad1d_0    conda-forge
pyqt                      5.12.3           py37ha62fc16_3    conda-forge
pyqt5-sip                 4.19.18                  pypi_0    pypi
pyqtchart                 5.12                     pypi_0    pypi
pyqtwebengine             5.12.1                   pypi_0    pypi
pyrsistent                0.16.0           py37h9bfed18_0    conda-forge
pysocks                   1.7.1            py37hc8dfbb8_1    conda-forge
python                    3.7.6           h90870a6_5_cpython    conda-forge
python-dateutil           2.8.1                      py_0    conda-forge
python-graphviz           0.14               pyh9f0ad1d_0    conda-forge
python_abi                3.7                     1_cp37m    conda-forge
pytz                      2020.1             pyh9f0ad1d_0    conda-forge
pyyaml                    5.3.1            py37h9bfed18_0    conda-forge
pyzmq                     19.0.1           py37haec44b1_0    conda-forge
qt                        5.12.5               h514805e_3    conda-forge
qtconsole                 4.7.4              pyh9f0ad1d_0    conda-forge
qtpy                      1.9.0                      py_0    conda-forge
readline                  8.0                  hcfe32e1_0    conda-forge
requests                  2.23.0             pyh8c360ce_2    conda-forge
requests-oauthlib         1.2.0                      py_0    conda-forge
ruamel_yaml               0.15.80         py37h9bfed18_1001    conda-forge
s3transfer                0.3.3            py37hc8dfbb8_1    conda-forge
scp                       0.13.2                     py_0    conda-forge
send2trash                1.5.0                      py_0    conda-forge
setuptools                46.3.0           py37hc8dfbb8_0    conda-forge
six                       1.14.0                     py_1    conda-forge
sortedcontainers          2.1.0                      py_0    conda-forge
sqlite                    3.30.1               h93121df_0    conda-forge
sshtunnel                 0.1.5                         0    conda-forge
tblib                     1.6.0                      py_0    conda-forge
terminado                 0.8.3            py37hc8dfbb8_1    conda-forge
testpath                  0.4.4                      py_0    conda-forge
tk                        8.6.10               hbbe82c9_0    conda-forge
toolz                     0.10.0                     py_0    conda-forge
tornado                   6.0.4            py37h9bfed18_1    conda-forge
tqdm                      4.46.0             pyh9f0ad1d_0    conda-forge
traitlets                 4.3.3            py37hc8dfbb8_1    conda-forge
typing_extensions         3.7.4.2                    py_0    conda-forge
urllib3                   1.25.9                     py_0    conda-forge
wcwidth                   0.1.9              pyh9f0ad1d_0    conda-forge
webencodings              0.5.1                      py_1    conda-forge
wheel                     0.34.2                     py_1    conda-forge
widgetsnbextension        3.5.1                    py37_0    conda-forge
xz                        5.2.5                h0b31af3_0    conda-forge
yaml                      0.2.4                h0b31af3_0    conda-forge
zeromq                    4.3.2                h6de7cb9_2    conda-forge
zict                      2.0.0                      py_0    conda-forge
zipp                      3.1.0                      py_0    conda-forge
zlib                      1.2.11            h0b31af3_1006    conda-forge
zstd                      1.4.4                h4b3e974_3    conda-forge

Version 0.9.1

  • Cloud management for Amazon and AWS

  • Initial development of Jupyterlab framework using ipywidgets

  • Examples for scaling with NWChem, LAMMPS and SPPARKS

  • Cloud images all enabled with generation of multi-node HPC cluster

  • Cloud images all enabled with creation of NFS shared directory

Dependencies

# packages in environment at /Users/swsides/chemistream:
#
# Name                    Version                   Build  Channel
adal                      1.2.2                      py_0    conda-forge
appnope                   0.1.0           py37hc8dfbb8_1001    conda-forge
attrs                     19.3.0                     py_0    conda-forge
azure-common              1.1.24                     py_0    conda-forge
azure-mgmt-compute        9.0.0                      py_0    conda-forge
azure-mgmt-network        10.2.0                     py_0    conda-forge
azure-mgmt-resource       6.0.0                      py_0    conda-forge
azure-nspkg               3.0.2                      py_0    conda-forge
backcall                  0.1.0                      py_0    conda-forge
bcrypt                    3.1.7            py37h9bfed18_1    conda-forge
bleach                    3.1.5              pyh9f0ad1d_0    conda-forge
blinker                   1.4                        py_1    conda-forge
bokeh                     2.0.1            py37hc8dfbb8_0    conda-forge
boto3                     1.13.8             pyh9f0ad1d_0    conda-forge
botocore                  1.16.8             pyh9f0ad1d_0    conda-forge
brotlipy                  0.7.0           py37h9bfed18_1000    conda-forge
ca-certificates           2020.4.5.1           hecc5488_0    conda-forge
certifi                   2020.4.5.1       py37hc8dfbb8_0    conda-forge
cffi                      1.14.0           py37h356ff06_0    conda-forge
chardet                   3.0.4           py37hc8dfbb8_1006    conda-forge
chemistream               0.9.8                    pypi_0    pypi
click                     7.1.2              pyh9f0ad1d_0    conda-forge
cloudpickle               1.4.1                      py_0    conda-forge
conda                     4.8.3            py37hc8dfbb8_1    conda-forge
conda-package-handling    1.6.0            py37h9bfed18_2    conda-forge
cryptography              2.9.2            py37he655712_0    conda-forge
cytoolz                   0.10.1           py37h0b31af3_0    conda-forge
dask                      2.16.0                     py_0    conda-forge
dask-core                 2.16.0                     py_0    conda-forge
dbus                      1.13.6               h2f22bb5_0    conda-forge
decorator                 4.4.2                      py_0    conda-forge
defusedxml                0.6.0                      py_0    conda-forge
distributed               2.16.0           py37hc8dfbb8_0    conda-forge
docutils                  0.15.2                   py37_0    conda-forge
entrypoints               0.3             py37hc8dfbb8_1001    conda-forge
expat                     2.2.9                h4a8c4bd_2    conda-forge
freetype                  2.10.2               h8da9a1a_0    conda-forge
fsspec                    0.7.3                      py_0    conda-forge
gettext                   0.19.8.1          h46ab8bc_1002    conda-forge
glib                      2.64.2               h577aef8_0    conda-forge
graphviz                  2.42.3               h98dfb87_0    conda-forge
heapdict                  1.0.1                      py_0    conda-forge
icu                       64.2                 h6de7cb9_1    conda-forge
idna                      2.9                        py_1    conda-forge
importlib-metadata        1.6.0            py37hc8dfbb8_0    conda-forge
importlib_metadata        1.6.0                         0    conda-forge
ipykernel                 5.2.1            py37h43977f1_0    conda-forge
ipython                   7.14.0           py37hc8dfbb8_0    conda-forge
ipython_genutils          0.2.0                      py_1    conda-forge
ipywidgets                7.5.1                      py_0    conda-forge
isodate                   0.6.0                      py_1    conda-forge
jedi                      0.17.0           py37hc8dfbb8_0    conda-forge
jinja2                    2.11.2             pyh9f0ad1d_0    conda-forge
jmespath                  0.10.0             pyh9f0ad1d_0    conda-forge
jpeg                      9c                h1de35cc_1001    conda-forge
json5                     0.9.0                      py_0    conda-forge
jsonschema                3.2.0            py37hc8dfbb8_1    conda-forge
jupyter                   1.0.0                      py_2    conda-forge
jupyter_client            6.1.3                      py_0    conda-forge
jupyter_console           6.1.0                      py_1    conda-forge
jupyter_core              4.6.3            py37hc8dfbb8_1    conda-forge
jupyterlab                2.1.0                      py_1    conda-forge
jupyterlab_server         1.1.3                      py_0    conda-forge
keyring                   21.2.1           py37hc8dfbb8_0    conda-forge
krb5                      1.17.1               h1752a42_0    conda-forge
libblas                   3.8.0               16_openblas    conda-forge
libcblas                  3.8.0               16_openblas    conda-forge
libclang                  9.0.1           default_hf57f61e_0    conda-forge
libcxx                    10.0.0               h1af66ff_2    conda-forge
libedit                   3.1.20170329      hcfe32e1_1001    conda-forge
libffi                    3.2.1             h4a8c4bd_1007    conda-forge
libgfortran               4.0.0                         2    conda-forge
libiconv                  1.15              h0b31af3_1006    conda-forge
liblapack                 3.8.0               16_openblas    conda-forge
libllvm9                  9.0.1                h7475705_1    conda-forge
libopenblas               0.3.9                h3d69b6c_0    conda-forge
libpng                    1.6.37               hbbe82c9_1    conda-forge
libpq                     12.2                 h489d428_1    conda-forge
libsodium                 1.0.17               h01d97ff_0    conda-forge
libtiff                   4.1.0                h2ae36a8_6    conda-forge
libuv                     1.32.0               h01d97ff_0    conda-forge
libwebp-base              1.1.0                h0b31af3_3    conda-forge
llvm-openmp               10.0.0               h28b9765_0    conda-forge
locket                    0.2.0                      py_2    conda-forge
lpmac                     0.9.3                    py37_0    file:///Users/swsides/hpccloud-trunk/anaconda/chemistream-channel
lz4-c                     1.9.2                h4a8c4bd_1    conda-forge
makalii                   0.9.0                    pypi_0    pypi
markupsafe                1.1.1            py37h9bfed18_1    conda-forge
mistune                   0.8.4           py37h9bfed18_1001    conda-forge
msgpack-python            1.0.0            py37ha1cc60f_1    conda-forge
msrest                    0.6.10                     py_0    conda-forge
msrestazure               0.6.2                      py_0    conda-forge
nbconvert                 5.6.1            py37hc8dfbb8_1    conda-forge
nbformat                  5.0.6                      py_0    conda-forge
ncurses                   6.1               h0a44026_1002    conda-forge
nodejs                    10.16.3              hec2bf70_0    conda-forge
notebook                  6.0.3            py37hc8dfbb8_0    conda-forge
nspr                      4.20              h0a44026_1000    conda-forge
nss                       3.47                 hc0980d9_0    conda-forge
numpy                     1.18.4           py37h7687784_0    conda-forge
oauthlib                  3.0.1                      py_0    conda-forge
olefile                   0.46                       py_0    conda-forge
openssl                   1.1.1g               h0b31af3_0    conda-forge
packaging                 20.1                       py_0    conda-forge
pandas                    1.0.3            py37h94625e5_1    conda-forge
pandoc                    2.9.2.1                       0    conda-forge
pandocfilters             1.4.2                      py_1    conda-forge
paramiko                  2.7.1                    py37_0    conda-forge
parso                     0.7.0              pyh9f0ad1d_0    conda-forge
partd                     1.1.0                      py_0    conda-forge
pcre                      8.44                 h4a8c4bd_0    conda-forge
pexpect                   4.8.0            py37hc8dfbb8_1    conda-forge
pickleshare               0.7.5           py37hc8dfbb8_1001    conda-forge
pillow                    7.1.2            py37hfd78ece_0    conda-forge
pip                       20.1               pyh9f0ad1d_0    conda-forge
prettytable               0.7.2                      py_3    conda-forge
prometheus_client         0.7.1                      py_0    conda-forge
prompt-toolkit            3.0.5                      py_0    conda-forge
prompt_toolkit            3.0.5                         0    conda-forge
psutil                    5.7.0            py37h9bfed18_1    conda-forge
ptyprocess                0.6.0                   py_1001    conda-forge
py3dmol                   0.8.0                      py_0    conda-forge
pycosat                   0.6.3           py37h9bfed18_1004    conda-forge
pycparser                 2.20                       py_0    conda-forge
pygments                  2.6.1                      py_0    conda-forge
pyjwt                     1.7.1                      py_0    conda-forge
pynacl                    1.3.0           py37h0b31af3_1001    conda-forge
pyopenssl                 19.1.0                     py_1    conda-forge
pyparsing                 2.4.7              pyh9f0ad1d_0    conda-forge
pyqt                      5.12.3           py37ha62fc16_3    conda-forge
pyqt5-sip                 4.19.18                  pypi_0    pypi
pyqtchart                 5.12                     pypi_0    pypi
pyqtwebengine             5.12.1                   pypi_0    pypi
pyrsistent                0.16.0           py37h9bfed18_0    conda-forge
pysocks                   1.7.1            py37hc8dfbb8_1    conda-forge
python                    3.7.6           h90870a6_5_cpython    conda-forge
python-dateutil           2.8.1                      py_0    conda-forge
python-graphviz           0.14               pyh9f0ad1d_0    conda-forge
python_abi                3.7                     1_cp37m    conda-forge
pytz                      2020.1             pyh9f0ad1d_0    conda-forge
pyyaml                    5.3.1            py37h9bfed18_0    conda-forge
pyzmq                     19.0.1           py37haec44b1_0    conda-forge
qt                        5.12.5               h514805e_3    conda-forge
qtconsole                 4.7.4              pyh9f0ad1d_0    conda-forge
qtpy                      1.9.0                      py_0    conda-forge
readline                  8.0                  hcfe32e1_0    conda-forge
requests                  2.23.0             pyh8c360ce_2    conda-forge
requests-oauthlib         1.2.0                      py_0    conda-forge
ruamel_yaml               0.15.80         py37h9bfed18_1001    conda-forge
s3transfer                0.3.3            py37hc8dfbb8_1    conda-forge
scp                       0.13.2                     py_0    conda-forge
send2trash                1.5.0                      py_0    conda-forge
setuptools                46.3.0           py37hc8dfbb8_0    conda-forge
six                       1.14.0                     py_1    conda-forge
sortedcontainers          2.1.0                      py_0    conda-forge
sqlite                    3.30.1               h93121df_0    conda-forge
sshtunnel                 0.1.5                         0    conda-forge
tblib                     1.6.0                      py_0    conda-forge
terminado                 0.8.3            py37hc8dfbb8_1    conda-forge
testpath                  0.4.4                      py_0    conda-forge
tk                        8.6.10               hbbe82c9_0    conda-forge
toolz                     0.10.0                     py_0    conda-forge
tornado                   6.0.4            py37h9bfed18_1    conda-forge
tqdm                      4.46.0             pyh9f0ad1d_0    conda-forge
traitlets                 4.3.3            py37hc8dfbb8_1    conda-forge
typing_extensions         3.7.4.2                    py_0    conda-forge
urllib3                   1.25.9                     py_0    conda-forge
wcwidth                   0.1.9              pyh9f0ad1d_0    conda-forge
webencodings              0.5.1                      py_1    conda-forge
wheel                     0.34.2                     py_1    conda-forge
widgetsnbextension        3.5.1                    py37_0    conda-forge
xz                        5.2.5                h0b31af3_0    conda-forge
yaml                      0.2.4                h0b31af3_0    conda-forge
zeromq                    4.3.2                h6de7cb9_2    conda-forge
zict                      2.0.0                      py_0    conda-forge
zipp                      3.1.0                      py_0    conda-forge
zlib                      1.2.11            h0b31af3_1006    conda-forge
zstd                      1.4.4                h4b3e974_3    conda-forge