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@wking wking commented Mar 28, 2014

The installation is based on the Ubuntu 12.04 instructions. Conveniently for us, Travis uses Ubuntu 12.04 as its Linux environment as well. I made a few changes to the suggested installation procedure:

  • build-essential instead of g++ (so we get Make too)
  • Non-Python RDKit from packages (5,6,7,8,9) instead of from
    source, although this installs RDKit v201106, which may be too old?
    I haven't checked any of the InChl stuff for building from
    source, so this might be completely broken at the moment.
    Unfortunately, the version of RDKit on PyPI is 2009.Q1b1, which is
    too old for the libraries we've installed from packages.
  • Travis doesn't support Python 2.5, so I only test on 2.6 and
    2.7.

I also don't understand how RMG-Py finds RMG-database, so that might be broken
as well.

For an intro to Travis, see:

The installation instructions are based on the Ubuntu 12.04
instructions [1].  Conveniently for us, Travis uses Ubuntu 12.04 as
its Linux environment as well [2].  I made a few changes to the
suggested installation procedure:

* build-essential [3] instead of g++ (so we get Make too)
* Non-Python [4] RDKit from packages [5,6,7,8,9] instead of from
  source, although this installs RDKit v201106, which may be too old?
  I haven't checked any of the InChl stuff [10] for building from
  source, so this might be completely broken at the moment.
  Unfortunately, the version of RDKit on PyPI is 2009.Q1b1, which is
  too old for the libraries we've installed from packages [11].
* Travis doesn't support Python 2.5 [12], so I only test on 2.6 and
  2.7.

I also don't understand how RMG-Py finds RMG-database, so that might
be broken as well.

[1]: http://greengroup.github.io/RMG-Py/users/rmg/installation/linux.html
[2]: http://docs.travis-ci.com/user/installing-dependencies/#Installing-Ubuntu-packages
[3]: http://packages.ubuntu.com/precise/build-essential
[4]: http://docs.travis-ci.com/user/languages/python/#Travis-CI-Uses-Isolated-virtualenvs
[5]: http://www.rdkit.org/docs/Install.html#ubuntu-12-04-and-later
[6]: http://packages.ubuntu.com/precise/python-rdkit
[7]: http://packages.ubuntu.com/precise/librdkit-dev
[8]: http://packages.ubuntu.com/precise/librdkit1
[9]: http://packages.ubuntu.com/precise/rdkit-data
[10]: http://code.google.com/p/rdkit/wiki/BuildingWithCmake#Getting_Ready
[11]: https://pypi.python.org/pypi/rdkit
[12]: http://docs.travis-ci.com/user/languages/python/#Choosing-Python-versions-to-test-against
@rwest
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rwest commented Mar 28, 2014

Thanks! I set up a Travis-CI.org account and rebased this onto master. Our first build is currently running...

@wking
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wking commented Mar 28, 2014

On Fri, Mar 28, 2014 at 01:46:32PM -0700, Richard West wrote:

Thanks! I set up a Travis-CI.org account and rebased this onto
master. Our first build is currently running...

Oops, looks like we need:

git clone git://github.com/GreenGroup/RMG-database.git

instead of git@ to avoid [1,2]:

$ git clone [email protected]:GreenGroup/RMG-database.git
Cloning into 'RMG-database'...
The authenticity of host 'github.com (192.30.252.128)' can't be established.
RSA key fingerprint is 16:27:ac:a5:76:28:2d:36:63:1b:56:4d:eb:df:a6:48.
Are you sure you want to continue connecting (yes/no)?

I imagine you can take it from here, but feel free to ping me if you
get stuck (not that I'm a Travis expert. Many eyes make shallow bugs
and all that :p).

@rwest
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rwest commented Mar 28, 2014

Thanks. Continuing travis debugging on #194 so closing this pull request (spoiler: it's not working yet)

@rwest rwest closed this Mar 28, 2014
@wking wking deleted the travis branch April 1, 2014 21:39
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2 participants