mordred install with miniconda3

gistfile1.txt

Trying to solve some issues https://github.com/mordred-descriptor/mordred/issues

$ date
Mon Apr 13 17:24:30 EDT 2020
$ sw_vers
ProductName:	Mac OS X
ProductVersion:	10.14.6
BuildVersion:	18G103
$  brew  cask install miniconda
$  brew  cask info miniconda
$  conda init "$(basename "${SHELL}")"
$  conda update conda

Collecting package metadata (current_repodata.json): done
Solving environment: done

# All requested packages already installed.

$ conda install -c rdkit -c mordred-descriptor mordred

## Package Plan ##

  environment location: /usr/local/Caskroom/miniconda/base

  added / updated specs:
    - mordred
The following packages will be downloaded:

    package                    |            build
    ---------------------------|-----------------
    blas-1.0                   |              mkl           6 KB
    bzip2-1.0.8                |       h1de35cc_0          75 KB
    cairo-1.14.12              |       hc4e6be7_4         860 KB
    decorator-4.4.2            |             py_0          14 KB
    fontconfig-2.13.0          |       h5d5b041_1         202 KB
    freetype-2.9.1             |       hb4e5f40_0         555 KB
    gettext-0.19.8.1           |       h15daf44_3         2.6 MB
    glib-2.63.1                |       hd977a24_0         2.6 MB
    icu-58.2                   |       h4b95b61_1        10.1 MB
    intel-openmp-2019.4        |              233         887 KB
    jpeg-9b                    |       he5867d9_2         201 KB
    libboost-1.67.0            |       hebc422b_4        12.7 MB
    libgfortran-3.0.1          |       h93005f0_2         426 KB
    libiconv-1.15              |       hdd342a3_7         671 KB
    libpng-1.6.37              |       ha441bb4_0         262 KB
    libtiff-4.1.0              |       hcb84e12_0         404 KB
    libxml2-2.9.9              |       hf6e021a_1         1.3 MB
    mkl-2019.4                 |              233       101.9 MB
    mkl-service-2.3.0          |   py37hfbe908c_0         201 KB
    mkl_fft-1.0.15             |   py37h5e564d8_0         136 KB
    mkl_random-1.1.0           |   py37ha771720_0         275 KB
    mordred-1.2.0              |     pyhe5148d4_0         257 KB  mordred-descriptor
    networkx-2.4               |             py_0         1.2 MB
    numpy-1.18.1               |   py37h7241aed_0           5 KB
    numpy-base-1.18.1          |   py37h6575580_1         3.9 MB
    olefile-0.46               |           py37_0          49 KB
    pandas-1.0.3               |   py37h6c726b0_0         7.7 MB
    pcre-8.43                  |       h0a44026_0         185 KB
    pillow-7.0.0               |   py37h4655f20_0         564 KB
    pixman-0.38.0              |       h1de35cc_0         341 KB
    py-boost-1.67.0            |   py37h6440ff4_4         286 KB
    python-dateutil-2.8.1      |             py_0         224 KB
    pytz-2019.3                |             py_0         231 KB
    rdkit-2020.03.1.0          |   py37h65625ec_1        23.3 MB  rdkit
    zstd-1.3.7                 |       h5bba6e5_0         327 KB
    ------------------------------------------------------------
                                           Total:       174.9 MB
Proceed ([y]/n)?    y
...
Preparing transaction: done
Verifying transaction: done
Executing transaction: done

The following NEW packages will be INSTALLED:

  pip                pkgs/main/osx-64::pip-20.0.2-py37_1
  wheel              pkgs/main/osx-64::wheel-0.34.2-py37_0

The following packages will be DOWNGRADED:

  networkx                                         2.4-py_0 --> 2.3-py_0

$ conda activate my-rdkit-env
$ conda activate my-rdkit-env
(my-rdkit-env) $ python
Python 3.7.7 (default, Mar 26 2020, 10:32:53) 
[Clang 4.0.1 (tags/RELEASE_401/final)] :: Anaconda, Inc. on darwin
Type "help", "copyright", "credits" or "license" for more information.
>>> from rdkit import Chem
>>> 
(my-rdkit-env) $ 

(my-rdkit-env) $ conda install pyyaml nose

$ conda install openpyxl

$ (base) $ python -m mordred.web
_RegisterApplication(), FAILED TO establish the default connection to the WindowServer, _CGSDefaultConnection() is NULL.
0:37: execution error: An error of type -610 has occurred. (-610)
_RegisterApplication(), FAILED TO establish the default connection to the WindowServer, _CGSDefaultConnection() is NULL.
69:77: execution error: Can’t get application "chrome". (-1728)
70:78: execution error: An error of type -610 has occurred. (-610)
69:77: execution error: An error of type -610 has occurred. (-610)
start mordred.web on http://127.0.0.1:3000