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chrisjsewell / PyGauss

An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation
http://pygauss.readthedocs.org/
GNU General Public License v3.0
26 stars 8 forks source link

Pillow --> Pil Regression #37

Open jmrd98 opened 8 years ago

jmrd98 commented 8 years ago

Hello, in commit 93a0ec10fd125fc2086b8f90265dd6371c4984a5, "updates ready for version change, Jun 17, 2015", there was a change from specifying the PIL requirement as Pillow to the older pil package. This results in the PyGauss package to fail installation via Pip. The automated build tests appear to import a package list from elsewhere, and thus pass the tests as Pillow appears to provide the PIL module to python. I am attempting to work around this issue at the moment, but I wanted to raise an issue in order to both bring it to your attention, as well as learn if there was a particular reason for this change that I am misunderstanding.

Thank you.

chrisjsewell commented 8 years ago

Hey, Yes I had issues with back compatibility when trying to upgrade to Pillow from PIL (see #26), which unfortunately I haven't had time to address. As mentioned in the documentation though, I would strongly recommend using Conda to build PyGauss (in a new environment) over pip. I don't know how much you know about this, but its a lot better package manager when dealing with multiple dependencies and, in particular, builds that have C dependencies, as is the case for chemlab. Happy to give you more guidance if required. Ta, Chris

jmrd98 commented 8 years ago

Hey, thanks for the quick answer. I had missed that issue, I thought I had looked them over before submitting a new one... That's my bad. I did ultimately end up using miniconda to get a quick test environment going, which worked for the most part... The modules are functioning, but every display of the structure ignores atom coloring and makes everything uniform black. I'm reasonably sure the goof is in chemlab somewhere, but i've not nailed it down; I don't want to raise an issue when it's not really! Thanks for the package, it's been quite informative thus far.