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Simplify install #1
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Also get RDKit from the rdkit channel
stored on the afm channel
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for calls to generate_resonance_structures
Since this test was written, we no longer keep all forms of non-representative structures
The newest version of Cantera does not support this feature
Better to let these be handled by the RMG binary and conda
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Assuming this last commit passes I have added the last of the remaining commits for this PR and it should be ready for review. I have tweaked the Travis tests so that it now runs two tests:
The ultimate goal of this is that AFM users get RMG-Py through a conda binary so that they do not have to check out specific branches of RMG-Py and RMG-database, simplifying the installation process (the install instructions are now just clone the repo, make the environment from a single file, and they are good to go). In practice though it might be best to ship a joint AFM/RMG-Py binary just in case we decide later on to merge AFM back into RMG-Py or submodule AFM in RMG-Py. |
Just a couple of quick fixes to make the installation process easier. With these changes, you only need to create the conda environment from the file. The instructions to install the other dependencies such as rdkit and mpmath are no longer necessary