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AiiDA conda environment #2081

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merged 17 commits into from
Oct 22, 2018
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ltalirz
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@ltalirz ltalirz commented Oct 21, 2018

This PR

  • adds an environment.yml file for installing AiiDA's dependencies using conda
  • adds a pre-commit hook that updates this file based on setup_requirements.py
  • adds a Travis test that tests the conda install and prohibits adding new dependencies if they are not available on conda (either the defaults or the conda-forge channel`)
  • updates reentry to 1.2.2, which is now available on conda-forge

Special thanks go to @astamminger who helped with making the (rather outdated) versions of some packages that we are using available on conda-forge.

This is intended as a first step to enable an aiida conda package (so that one can do conda install aiida).
Once this is done, we can then start experimenting with installing also rabbitmq and postgres via conda (for me the original reason for pursuing this).

ltalirz and others added 17 commits September 13, 2018 14:58
should work with aiida-core v0.12.0
yamlize script generates environemnt.yml from
setup_requirements.py
also, move environment.yml generation to
validate_pyproject.yml
Add AiiDA package root folder to PATH environment variable
prior to importing the setup_requirements.py module.
generated environment.yml file is now written to the parent directory
(which is assumed to be the AiiDA project root directory)
Add missing path export to conda command.
 * update reentry to 1.2.2 (available on conda)
 * add travis test to verify that conda install works
 * move environment.yml to top level
it seems the anaconda channel is currently breaking installs

conda/conda#7872

Here is the error I got:
```
     File "/home/travis/miniconda/lib/python2.7/site-packages/conda/core/subdir_data.py", line 369, in _process_raw_repodata_str
        info['fn'] = fn
    TypeError: 'NoneType' object does not support item assignment
```
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Coverage Status

Coverage increased (+0.2%) to 48.202% when pulling b578a55 on ltalirz:wip_conda_install into 6f2d385 on aiidateam:release_v0.12.3.

@ltalirz ltalirz merged commit 1f4b86e into aiidateam:release_v0.12.3 Oct 22, 2018
ltalirz added a commit to ltalirz/aiida-core that referenced this pull request Dec 18, 2018
* add an `environment.yml` file for installing AiiDA's dependencies using conda
* add a pre-commit hook that updates this file based on `setup_requirements.py`
* add a Travis test that tests the conda install and prohibits adding new dependencies if they are not available on conda (either the `defaults` or the `conda-forge` channel`)
* update reentry to 1.2.2, which is now available on `conda-forge`

Note: Using 'defaults' channel (anaconda channel is currently breaking installs)
conda/conda#7872
@chrisjsewell chrisjsewell mentioned this pull request Feb 28, 2019
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4 participants