Using an environment.yml file to create the Conda environment is a more foolproof way for users to create a proper environment for themselves. Since the openbabel channel is deprecated, this also changes to the currently supported conda-forge channel for OpenBabel.
In addition, this renames the Conda environment from "p4env" to "poltype", since it has the additional dependencies for poltype, not just psi4.
Using an
environment.ymlfile to create the Conda environment is a more foolproof way for users to create a proper environment for themselves. Since theopenbabelchannel is deprecated, this also changes to the currently supportedconda-forgechannel for OpenBabel.In addition, this renames the Conda environment from "p4env" to "poltype", since it has the additional dependencies for poltype, not just psi4.
Fixes #8 (multiple issues mentioned here).