Missing joblib requirement?

[IAlibay]

Solution to issue cannot be found in the documentation.

• [X] I checked the documentation.

Issue

We've found that running pip check on packages which install ambertools downstream returns the following: ndfes 1.8 requires joblib, which is not installed..

It looks like there might be some missing joblib dependency in the conda-forge recipe?

Installed packages

# Name                    Version                   Build  Channel
_libgcc_mutex             0.1                 conda_forge    conda-forge
_openmp_mutex             4.5                       2_gnu    conda-forge
ambertools                23.0            py310he275f01_0    conda-forge
amberutils                21.0                     pypi_0    pypi
arpack                    3.7.0                hdefa2d7_2    conda-forge
blosc                     1.21.4               h0f2a231_0    conda-forge
boost-cpp                 1.78.0               h6582d0a_3    conda-forge
brotli                    1.0.9                h166bdaf_8    conda-forge
brotli-bin                1.0.9                h166bdaf_8    conda-forge
bzip2                     1.0.8                h7f98852_4    conda-forge
c-ares                    1.19.1               hd590300_0    conda-forge
ca-certificates           2023.5.7             hbcca054_0    conda-forge
certifi                   2023.5.7           pyhd8ed1ab_0    conda-forge
charset-normalizer        3.1.0              pyhd8ed1ab_0    conda-forge
contourpy                 1.0.7           py310hdf3cbec_0    conda-forge
curl                      8.1.1                h409715c_0    conda-forge
cycler                    0.11.0             pyhd8ed1ab_0    conda-forge
cython                    0.29.35         py310hc6cd4ac_0    conda-forge
edgembar                  0.2                      pypi_0    pypi
fftw                      3.3.10          nompi_hc118613_107    conda-forge
fonttools                 4.39.4          py310h2372a71_0    conda-forge
freetype                  2.12.1               hca18f0e_1    conda-forge
hdf4                      4.2.15               h501b40f_6    conda-forge
hdf5                      1.14.0          nompi_hb72d44e_103    conda-forge
icu                       72.1                 hcb278e6_0    conda-forge
idna                      3.4                pyhd8ed1ab_0    conda-forge
keyutils                  1.6.1                h166bdaf_0    conda-forge
kiwisolver                1.4.4           py310hbf28c38_1    conda-forge
krb5                      1.20.1               h81ceb04_0    conda-forge
lcms2                     2.15                 haa2dc70_1    conda-forge
ld_impl_linux-64          2.40                 h41732ed_0    conda-forge
lerc                      4.0.0                h27087fc_0    conda-forge
libaec                    1.0.6                hcb278e6_1    conda-forge
libblas                   3.9.0           16_linux64_openblas    conda-forge
libbrotlicommon           1.0.9                h166bdaf_8    conda-forge
libbrotlidec              1.0.9                h166bdaf_8    conda-forge
libbrotlienc              1.0.9                h166bdaf_8    conda-forge
libcblas                  3.9.0           16_linux64_openblas    conda-forge
libcurl                   8.1.1                h409715c_0    conda-forge
libdeflate                1.18                 h0b41bf4_0    conda-forge
libedit                   3.1.20191231         he28a2e2_2    conda-forge
libev                     4.33                 h516909a_1    conda-forge
libffi                    3.4.2                h7f98852_5    conda-forge
libgcc-ng                 12.2.0              h65d4601_19    conda-forge
libgfortran-ng            12.2.0              h69a702a_19    conda-forge
libgfortran5              12.2.0              h337968e_19    conda-forge
libgomp                   12.2.0              h65d4601_19    conda-forge
libiconv                  1.17                 h166bdaf_0    conda-forge
libjpeg-turbo             2.1.5.1              h0b41bf4_0    conda-forge
liblapack                 3.9.0           16_linux64_openblas    conda-forge
libnetcdf                 4.9.2           nompi_h0f3d0bb_105    conda-forge
libnghttp2                1.52.0               h61bc06f_0    conda-forge
libnsl                    2.0.0                h7f98852_0    conda-forge
libopenblas               0.3.21          pthreads_h78a6416_3    conda-forge
libpng                    1.6.39               h753d276_0    conda-forge
libsqlite                 3.42.0               h2797004_0    conda-forge
libssh2                   1.10.0               hf14f497_3    conda-forge
libstdcxx-ng              12.2.0              h46fd767_19    conda-forge
libtiff                   4.5.0                ha587672_6    conda-forge
libuuid                   2.38.1               h0b41bf4_0    conda-forge
libwebp-base              1.3.0                h0b41bf4_0    conda-forge
libxcb                    1.15                 h0b41bf4_0    conda-forge
libxml2                   2.11.4               h0d562d8_0    conda-forge
libzip                    1.9.2                hc929e4a_1    conda-forge
libzlib                   1.2.13               h166bdaf_4    conda-forge
lz4-c                     1.9.4                hcb278e6_0    conda-forge
matplotlib-base           3.7.1           py310he60537e_0    conda-forge
mmpbsa-py                 16.0                     pypi_0    pypi
munkres                   1.1.4              pyh9f0ad1d_0    conda-forge
ncurses                   6.3                  h27087fc_1    conda-forge
netcdf-fortran            4.6.1           nompi_h4f3791c_100    conda-forge
numpy                     1.24.3          py310ha4c1d20_0    conda-forge
openjpeg                  2.5.0                hfec8fc6_2    conda-forge
openssl                   3.1.0                hd590300_3    conda-forge
packaging                 23.1               pyhd8ed1ab_0    conda-forge
packmol                   20.010               h86c2bf4_0    conda-forge
packmol-memgen            2023.2.24                pypi_0    pypi
pandas                    2.0.2           py310h7cbd5c2_0    conda-forge
parmed                    4.1.0           py310heca2aa9_0    conda-forge
pdb4amber                 22.0                     pypi_0    pypi
perl                      5.32.1          2_h7f98852_perl5    conda-forge
pillow                    9.5.0           py310h582fbeb_1    conda-forge
pip                       23.1.2             pyhd8ed1ab_0    conda-forge
platformdirs              3.5.1              pyhd8ed1ab_0    conda-forge
pooch                     1.7.0              pyha770c72_3    conda-forge
pthread-stubs             0.4               h36c2ea0_1001    conda-forge
pymsmt                    22.0                     pypi_0    pypi
pyparsing                 3.0.9              pyhd8ed1ab_0    conda-forge
pysocks                   1.7.1              pyha2e5f31_6    conda-forge
python                    3.10.11         he550d4f_0_cpython    conda-forge
python-dateutil           2.8.2              pyhd8ed1ab_0    conda-forge
python-tzdata             2023.3             pyhd8ed1ab_0    conda-forge
python_abi                3.10                    3_cp310    conda-forge
pytraj                    2.0.6                    pypi_0    pypi
pytz                      2023.3             pyhd8ed1ab_0    conda-forge
readline                  8.2                  h8228510_1    conda-forge
requests                  2.31.0             pyhd8ed1ab_0    conda-forge
sander                    22.0                     pypi_0    pypi
scipy                     1.10.1          py310ha4c1d20_3    conda-forge
setuptools                67.7.2             pyhd8ed1ab_0    conda-forge
six                       1.16.0             pyh6c4a22f_0    conda-forge
snappy                    1.1.10               h9fff704_0    conda-forge
tk                        8.6.12               h27826a3_0    conda-forge
typing-extensions         4.6.2                hd8ed1ab_0    conda-forge
typing_extensions         4.6.2              pyha770c72_0    conda-forge
tzdata                    2023c                h71feb2d_0    conda-forge
unicodedata2              15.0.0          py310h5764c6d_0    conda-forge
urllib3                   2.0.2              pyhd8ed1ab_0    conda-forge
wheel                     0.40.0             pyhd8ed1ab_0    conda-forge
xorg-kbproto              1.0.7             h7f98852_1002    conda-forge
xorg-libice               1.0.10               h7f98852_0    conda-forge
xorg-libsm                1.2.3             hd9c2040_1000    conda-forge
xorg-libx11               1.8.4                h8ee46fc_1    conda-forge
xorg-libxau               1.0.11               hd590300_0    conda-forge
xorg-libxdmcp             1.1.3                h7f98852_0    conda-forge
xorg-libxext              1.3.4                h0b41bf4_2    conda-forge
xorg-libxt                1.2.1                h7f98852_2    conda-forge
xorg-xextproto            7.3.0             h0b41bf4_1003    conda-forge
xorg-xproto               7.0.31            h7f98852_1007    conda-forge
xz                        5.2.6                h166bdaf_0    conda-forge
zstd                      1.5.2                h3eb15da_6    conda-forge

Environment info

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     active environment : gufe-clean-testt
    active env location : /home/ialibay/software/mambaforge/install/envs/gufe-clean-testt
            shell level : 1
       user config file : /home/ialibay/.condarc
 populated config files : /home/ialibay/software/mambaforge/install/.condarc
                          /home/ialibay/.condarc
          conda version : 22.9.0
    conda-build version : not installed
         python version : 3.10.8.final.0
       virtual packages : __cuda=12.0=0
                          __linux=5.19.0=0
                          __glibc=2.35=0
                          __unix=0=0
                          __archspec=1=x86_64
       base environment : /home/ialibay/software/mambaforge/install  (writable)
      conda av data dir : /home/ialibay/software/mambaforge/install/etc/conda
  conda av metadata url : None
           channel URLs : https://conda.anaconda.org/conda-forge/linux-64
                          https://conda.anaconda.org/conda-forge/noarch
          package cache : /home/ialibay/software/mambaforge/install/pkgs
                          /home/ialibay/.conda/pkgs
       envs directories : /home/ialibay/software/mambaforge/install/envs
                          /home/ialibay/.conda/envs
               platform : linux-64
             user-agent : conda/22.9.0 requests/2.28.1 CPython/3.10.8 Linux/5.19.0-42-generic ubuntu/22.04.2 glibc/2.35
                UID:GID : 1000:1000
             netrc file : None
           offline mode : False

[jaimergp]

Thanks! See #115