merge Ian's code

[orbeckst]

@iwelland has done major additions, which need to be merged

[dotsdl]

@iwelland, what's the status of this?

[orbeckst]

ping @iwelland

[ghost]

Let me try to push it tomorrow

[orbeckst]

Basic manual tests

It would be wonderful if we had proper tests #2 but for right now, make sure that your code works by performing a manual test. For a start, see that you can run through the basic testing workflow (used to be #11 (comment)).

Merge the latest development code into yours

If your current code lives on the develop branch, make a new branch for right now:

git checkout -b issue-12-iwelland

Then merge the current develop:

git pull origin develop

If there are conflicts, fix all of them carefully.

Install hop again and make sure to upgrade MDAnalysis. Easiest is

cd hop
pip install --upgrade --user -e .

Run the manual tests again.

Create a PR

Instead of pushing directly to develop, make a pull request.

First push your work to origin/issue-12-iwelland:

git push -u origin issue-12-iwelland

Then go to the GitHub hop page and inititate a PR against the develop branch. See

• https://help.github.com/articles/using-pull-requests/
• https://help.github.com/articles/creating-a-pull-request/

Then assign the PR to @orbeckst and we will start discussing it.

If anything is unclear just ask in this issue.

[ghost]

Hi,

I've tried to setup MDAnalysis 0.15 repeatedly (before tonight) and pip yields:

Could not find a version that satisfies the requirement MDAnalysis>0.15.0 (from Hop==0.3.5) (from versions: 0.7.6, 0.8.0rc2, 0.8.0rc4, 0.8.0, 0.8.1rc1, 0.8.1, 0.9.0.dev0, 0.9.0, 0.9.1, 0.9.2, 0.10.0, 0.11.0, 0.12.1, 0.13.0, 0.14.0, 0.15.0)
No matching distribution found for MDAnalysis>0.15.0 (from Hop==0.3.5)

Any idea why?

[dotsdl]

The problem is stated in the output:

Could not find a version that satisfies the requirement MDAnalysis>0.15.0 (from Hop==0.3.5) (from versions: 0.7.6, 0.8.0rc2, 0.8.0rc4, 0.8.0, 0.8.1rc1, 0.8.1, 0.9.0.dev0, 0.9.0, 0.9.1, 0.9.2, 0.10.0, 0.11.0, 0.12.1, 0.13.0, 0.14.0, 0.15.0)

The install_requires line for MDAnalysis in setup.py should be changed to something like 'MDAnalysis>=0.15.0',, replacing > with >=.

[orbeckst]

Oops, sorry, my fault. I just fixed it.

git pull

On 1 Jun, 2016, at 19:24, David Dotson notifications@github.com wrote:

The problem is stated in the output:

Could not find a version that satisfies the requirement MDAnalysis>0.15.0 (from Hop==0.3.5) (from versions: 0.7.6, 0.8.0rc2, 0.8.0rc4, 0.8.0, 0.8.1rc1, 0.8.1, 0.9.0.dev0, 0.9.0, 0.9.1, 0.9.2, 0.10.0, 0.11.0, 0.12.1, 0.13.0, 0.14.0, 0.15.0)

The install_requires line for MDAnalysis in setup.py should be changed to something like 'MDAnalysis>=0.15.0',, replacing > with >=.