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mdanalysistests-feedstock's Introduction

About mdanalysistests-feedstock

Feedstock license: BSD-3-Clause

Home: https://github.com/MDAnalysis/mdanalysis

Package license: GPL-2.0-or-later

Summary: Tests and test files for MDAnalysis package

Current build status

All platforms:

Current release info

Name Downloads Version Platforms
Conda Recipe Conda Downloads Conda Version Conda Platforms

Installing mdanalysistests

Installing mdanalysistests from the conda-forge channel can be achieved by adding conda-forge to your channels with:

conda config --add channels conda-forge
conda config --set channel_priority strict

Once the conda-forge channel has been enabled, mdanalysistests can be installed with conda:

conda install mdanalysistests

or with mamba:

mamba install mdanalysistests

It is possible to list all of the versions of mdanalysistests available on your platform with conda:

conda search mdanalysistests --channel conda-forge

or with mamba:

mamba search mdanalysistests --channel conda-forge

Alternatively, mamba repoquery may provide more information:

# Search all versions available on your platform:
mamba repoquery search mdanalysistests --channel conda-forge

# List packages depending on `mdanalysistests`:
mamba repoquery whoneeds mdanalysistests --channel conda-forge

# List dependencies of `mdanalysistests`:
mamba repoquery depends mdanalysistests --channel conda-forge

About conda-forge

Powered by NumFOCUS

conda-forge is a community-led conda channel of installable packages. In order to provide high-quality builds, the process has been automated into the conda-forge GitHub organization. The conda-forge organization contains one repository for each of the installable packages. Such a repository is known as a feedstock.

A feedstock is made up of a conda recipe (the instructions on what and how to build the package) and the necessary configurations for automatic building using freely available continuous integration services. Thanks to the awesome service provided by Azure, GitHub, CircleCI, AppVeyor, Drone, and TravisCI it is possible to build and upload installable packages to the conda-forge anaconda.org channel for Linux, Windows and OSX respectively.

To manage the continuous integration and simplify feedstock maintenance conda-smithy has been developed. Using the conda-forge.yml within this repository, it is possible to re-render all of this feedstock's supporting files (e.g. the CI configuration files) with conda smithy rerender.

For more information please check the conda-forge documentation.

Terminology

feedstock - the conda recipe (raw material), supporting scripts and CI configuration.

conda-smithy - the tool which helps orchestrate the feedstock. Its primary use is in the construction of the CI .yml files and simplify the management of many feedstocks.

conda-forge - the place where the feedstock and smithy live and work to produce the finished article (built conda distributions)

Updating mdanalysistests-feedstock

If you would like to improve the mdanalysistests recipe or build a new package version, please fork this repository and submit a PR. Upon submission, your changes will be run on the appropriate platforms to give the reviewer an opportunity to confirm that the changes result in a successful build. Once merged, the recipe will be re-built and uploaded automatically to the conda-forge channel, whereupon the built conda packages will be available for everybody to install and use from the conda-forge channel. Note that all branches in the conda-forge/mdanalysistests-feedstock are immediately built and any created packages are uploaded, so PRs should be based on branches in forks and branches in the main repository should only be used to build distinct package versions.

In order to produce a uniquely identifiable distribution:

  • If the version of a package is not being increased, please add or increase the build/number.
  • If the version of a package is being increased, please remember to return the build/number back to 0.

Feedstock Maintainers

mdanalysistests-feedstock's People

Contributors

beckermr avatar bgruening avatar conda-forge-admin avatar conda-forge-curator[bot] avatar ialibay avatar kain88-de avatar orbeckst avatar regro-cf-autotick-bot avatar richardjgowers avatar

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mdanalysistests-feedstock's Issues

`hypothesis` dependency is missing

Issue: required dependency hypothesis is not installed, see MDAnalysis/mdanalysis#2091


Environment (conda list):
$ conda list
# packages in environment at /Users/oliver/anaconda3/envs/mda3:
#
# Name                    Version                   Build  Channel
alabaster                 0.7.12                     py_0    conda-forge
apipkg                    1.5                        py_0    conda-forge
appnope                   0.1.0                 py36_1000    conda-forge
asn1crypto                0.24.0                py36_1003    conda-forge
atomicwrites              1.2.1                      py_0    conda-forge
attrs                     18.2.0                     py_0    conda-forge
babel                     2.6.0                      py_1    conda-forge
backcall                  0.1.0                      py_0    conda-forge
biopython                 1.72                     py36_0    conda-forge
blas                      1.0                         mkl
bleach                    3.0.0                      py_0    conda-forge
bokeh                     0.13.0                   py36_0    conda-forge
bzip2                     1.0.6                         1    conda-forge
ca-certificates           2018.8.24            ha4d7672_0    conda-forge
certifi                   2018.8.24             py36_1001    conda-forge
cffi                      1.11.5           py36h5e8e0c9_1    conda-forge
cftime                    1.0.1            py36h7eb728f_0    conda-forge
chardet                   3.0.4                 py36_1003    conda-forge
citeproc-py               0.4.0                     <pip>
clangdev                  6.0.1                 default_1    conda-forge
click                     7.0                        py_0    conda-forge
cloudpickle               0.5.6                      py_0    conda-forge
coverage                  4.5.1            py36h470a237_1    conda-forge
cryptography              2.3.1            py36hdffb7b8_0    conda-forge
cryptography-vectors      2.3.1                 py36_1000    conda-forge
curl                      7.61.0               h93b3f91_2    conda-forge
cycler                    0.10.0                     py_1    conda-forge
cytoolz                   0.9.0.1          py36h470a237_1    conda-forge
dask                      0.19.3                     py_0    conda-forge
dask-core                 0.19.3                     py_0    conda-forge
decorator                 4.3.0                      py_0    conda-forge
distributed               1.23.3                   py36_0    conda-forge
docutils                  0.14                  py36_1001    conda-forge
duecredit                 0.6.4                     <pip>
entrypoints               0.2.3                 py36_1002    conda-forge
execnet                   1.5.0                      py_0    conda-forge
freetype                  2.9.1                h6debe1e_4    conda-forge
griddataformats           0.4.0                      py_0    conda-forge
gsd                       1.5.4            py36h7eb728f_0    conda-forge
hdf4                      4.2.13               h951d187_2    conda-forge
hdf5                      1.10.3               hc401514_2    conda-forge
heapdict                  1.0.0                 py36_1000    conda-forge
html5lib                  1.0.1                      py_0    conda-forge
icu                       58.2                 hfc679d8_0    conda-forge
idna                      2.7                   py36_1002    conda-forge
imagesize                 1.1.0                      py_0    conda-forge
intel-openmp              2019.0                      118
ipykernel                 5.0.0              pyh24bf2e0_1    conda-forge
ipython                   7.0.1            py36h24bf2e0_0    conda-forge
ipython_genutils          0.2.0                      py_1    conda-forge
ipywidgets                7.4.2                      py_0    conda-forge
jedi                      0.13.1                py36_1000    conda-forge
jinja2                    2.10                       py_1    conda-forge
joblib                    0.12.5                     py_0    conda-forge
jpeg                      9c                   h470a237_1    conda-forge
jsonschema                2.6.0                 py36_1002    conda-forge
jupyter                   1.0.0                      py_1    conda-forge
jupyter_client            5.2.3                      py_1    conda-forge
jupyter_console           6.0.0                      py_0    conda-forge
jupyter_core              4.4.0                      py_0    conda-forge
kiwisolver                1.0.1            py36h2d50403_2    conda-forge
krb5                      1.14.6                        0    conda-forge
libcxx                    6.0.1                         0    conda-forge
libffi                    3.2.1                hfc679d8_5    conda-forge
libgfortran               3.0.1                h93005f0_2
libiconv                  1.15                 h470a237_3    conda-forge
libnetcdf                 4.6.1               h350cafa_10    conda-forge
libpng                    1.6.35               ha92aebf_2    conda-forge
libsodium                 1.0.16               h470a237_1    conda-forge
libssh2                   1.8.0                h5b517e9_2    conda-forge
libxml2                   2.9.8                h422b904_5    conda-forge
llvm-meta                 6.0.1                         0    conda-forge
llvmdev                   6.0.1                h2d50403_2    conda-forge
locket                    0.2.0                      py_2    conda-forge
lxml                      4.2.5                     <pip>
markupsafe                1.0              py36h470a237_1    conda-forge
matplotlib                3.0.0            py36h45c993b_1    conda-forge
mdanalysis                0.18.0           py36h470a237_1    conda-forge
mdanalysistests           0.18.0                   py36_0    conda-forge
mistune                   0.8.3            py36h470a237_2    conda-forge
mkl                       2019.0                      118
mkl_fft                   1.0.6                    py36_0    conda-forge
mkl_random                1.0.1                    py36_0    conda-forge
mmtf-python               1.1.2                      py_0    conda-forge
mock                      2.0.0                 py36_1000    conda-forge
more-itertools            4.3.0                 py36_1000    conda-forge
msgpack-python            0.5.6            py36h2d50403_3    conda-forge
nbconvert                 5.3.1                      py_1    conda-forge
nbformat                  4.4.0                      py_1    conda-forge
ncurses                   6.1                  hfc679d8_1    conda-forge
netcdf4                   1.4.1            py36hac939d9_0    conda-forge
networkx                  2.2                        py_1    conda-forge
notebook                  5.7.0                 py36_1000    conda-forge
numpy                     1.15.2           py36h6a91979_1
numpy-base                1.15.2           py36h8a80b8c_1
openssl                   1.0.2p               h470a237_0    conda-forge
packaging                 18.0                       py_0    conda-forge
pandas                    0.23.4           py36hf8a1672_0    conda-forge
pandoc                    2.3.1                         0    conda-forge
pandocfilters             1.4.2                      py_1    conda-forge
parso                     0.3.1                      py_0    conda-forge
partd                     0.3.8                      py_1    conda-forge
patsy                     0.5.0                      py_1    conda-forge
pbr                       4.2.0                      py_0    conda-forge
pep8                      1.7.1                      py_0    conda-forge
pexpect                   4.6.0                 py36_1000    conda-forge
pickleshare               0.7.5                 py36_1000    conda-forge
pip                       18.1                  py36_1000    conda-forge
pluggy                    0.7.1                      py_0    conda-forge
prometheus_client         0.4.0                      py_0    conda-forge
prompt_toolkit            2.0.5                      py_0    conda-forge
psutil                    5.4.7            py36h470a237_1    conda-forge
ptyprocess                0.6.0                 py36_1000    conda-forge
py                        1.6.0                      py_0    conda-forge
pycparser                 2.19                       py_0    conda-forge
pygments                  2.2.0                      py_1    conda-forge
pyopenssl                 18.0.0                   py36_0    conda-forge
pyparsing                 2.2.2                      py_0    conda-forge
pyqt                      5.6.0            py36h8210e8a_7    conda-forge
pysocks                   1.6.8                 py36_1002    conda-forge
pytest                    3.8.2                 py36_1000    conda-forge
pytest-cache              1.0                      py36_0    conda-forge
pytest-cov                2.6.0                      py_0    conda-forge
pytest-forked             0.2                        py_0    conda-forge
pytest-pep8               1.0.6                      py_1    conda-forge
pytest-xdist              1.23.2                     py_0    conda-forge
python                    3.6.6                h5001a0f_0    conda-forge
python-dateutil           2.7.3                      py_0    conda-forge
pytz                      2018.5                     py_0    conda-forge
pyyaml                    3.13             py36h470a237_1    conda-forge
pyzmq                     17.1.2           py36hae99301_0    conda-forge
qt                        5.6.2                hd4c90f3_9    conda-forge
qtconsole                 4.4.1                    py36_1    conda-forge
readline                  7.0                  haf1bffa_1    conda-forge
requests                  2.19.1                   py36_1    conda-forge
scikit-learn              0.20.0           py36h4f467ca_1
scipy                     1.1.0            py36h28f7352_1
seaborn                   0.9.0                      py_0    conda-forge
send2trash                1.5.0                      py_0    conda-forge
setuptools                40.4.3                   py36_0    conda-forge
simplegeneric             0.8.1                      py_1    conda-forge
sip                       4.18.1           py36hfc679d8_0    conda-forge
six                       1.11.0                py36_1001    conda-forge
snowballstemmer           1.2.1                      py_1    conda-forge
sortedcontainers          2.0.5                      py_0    conda-forge
sphinx                    1.8.1                    py36_0    conda-forge
sphinxcontrib-websupport  1.1.0                      py_1    conda-forge
sqlite                    3.25.2               hb1c47c0_0    conda-forge
statsmodels               0.9.0                    py36_0    conda-forge
tblib                     1.3.2                      py_1    conda-forge
terminado                 0.8.1                 py36_1001    conda-forge
testpath                  0.4.2                 py36_1000    conda-forge
tk                        8.6.8                ha92aebf_0    conda-forge
toolz                     0.9.0                      py_1    conda-forge
tornado                   5.1.1            py36h470a237_0    conda-forge
traitlets                 4.3.2                 py36_1000    conda-forge
urllib3                   1.23                     py36_1    conda-forge
wcwidth                   0.1.7                      py_1    conda-forge
webencodings              0.5.1                      py_1    conda-forge
wheel                     0.32.1                   py36_0    conda-forge
widgetsnbextension        3.4.2                 py36_1000    conda-forge
xz                        5.2.4                h470a237_1    conda-forge
yaml                      0.1.7                h470a237_1    conda-forge
zeromq                    4.2.5                hfc679d8_5    conda-forge
zict                      0.1.3                      py_0    conda-forge
zlib                      1.2.11               h470a237_3    conda-forge

After manually installing

conda install hypothesis

the environment also contains

hypothesis                3.74.2                py36_1000    conda-forge

Details about conda and system ( conda info ):
$ conda info

     active environment : mda3
    active env location : /Users/oliver/anaconda3/envs/mda3
            shell level : 1
       user config file : /Users/oliver/.condarc
 populated config files : /Users/oliver/.condarc
          conda version : 4.5.11
    conda-build version : 2.0.2
         python version : 3.5.3.final.0
       base environment : /Users/oliver/anaconda3  (writable)
           channel URLs : https://conda.anaconda.org/conda-forge/osx-64
                          https://conda.anaconda.org/conda-forge/noarch
                          https://repo.anaconda.com/pkgs/main/osx-64
                          https://repo.anaconda.com/pkgs/main/noarch
                          https://repo.anaconda.com/pkgs/free/osx-64
                          https://repo.anaconda.com/pkgs/free/noarch
                          https://repo.anaconda.com/pkgs/r/osx-64
                          https://repo.anaconda.com/pkgs/r/noarch
                          https://repo.anaconda.com/pkgs/pro/osx-64
                          https://repo.anaconda.com/pkgs/pro/noarch
          package cache : /Users/oliver/anaconda3/pkgs
                          /Users/oliver/.conda/pkgs
       envs directories : /Users/oliver/anaconda3/envs
                          /Users/oliver/.conda/envs
               platform : osx-64
             user-agent : conda/4.5.11 requests/2.14.2 CPython/3.5.3 Darwin/16.7.0 OSX/10.12.6
                UID:GID : 502:20
             netrc file : None
           offline mode : False

check new noarch packages

Comment:

With PR #33 a noarch package is uploaded to conda-forge https://anaconda.org/conda-forge/mdanalysistests/files.

However, I looked at the azp output for run #20220705.1 and saw a few things that seem questionable:

Why is a py2.py3 wheel being built?

Created wheel for MDAnalysisTests: filename=MDAnalysisTests-2.2.0-py2.py3-none-any.whl size=52786848 sha256=80227459b4f0bd9ec20eee61cfc6f01797a8d0298b9941f2889f8c16b615e9c3
  Stored in directory: /tmp/pip-ephem-wheel-cache-_uc1fhgj/wheels/d2/c3/c3/fa7e2ea883f0e271a24d053f9a47d02ef2b51fface1ae2ebb4

(I don't think that the wheel is uploaded but it looks suspicious to me because we do NOT support Py 2.)

Numpy version is not pinned in the same way as MDAnalysis:

No numpy version specified in conda_build_config.yaml.

conda verify fails (because it is not installed??)

WARNING:conda_build.build:Importing conda-verify failed. Please be sure to test your packages. conda install conda-verify to make this message go away.

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