Merge pull request #253 from ReactionMechanismGenerator/dev

Update RMG website environmental file

Author: jonwzheng

README.md

@@ -22,11 +22,6 @@ For detailed instructions on setting up a local version of RMG-website,
 please see the [wiki page](https://github.com/ReactionMechanismGenerator/RMG-Py/wiki/Setting-up-RMG-website) 
 in RMG-Py. 
 
-<em>*After updating your `rmg_env` environment, be sure to install `descriptastorus` using the following command</em>
-```
-pip install git+https://github.com/bp-kelley/descriptastorus
-```
-
 ## Credits
 - [Professor William H. Green's research group](http://cheme.scripts.mit.edu/green-group/) at the 
 [Massachusetts Institute of Technology](http://web.mit.edu/) 

environment.yml

@@ -14,31 +14,34 @@ dependencies:
   - cython >=0.25.2
   - docutils
   - django =2.2
-  - gprof2dot
+  - rmg::gprof2dot
   - graphviz
   - jinja2
+  - conda-forge::julia>=1.8.5,!=1.9.0
   - libgcc
   - lxml
   - markupsafe
   - matplotlib >=1.5
-  - mopac
-  - nose
+  - conda-forge::mopac
   - numpy >=1.10.0
   - conda-forge::openbabel >= 3
+  - pip
+  - pip:
+      - git+https://github.com/bp-kelley/descriptastorus@2.5.0
   - psutil
-  - pydas >=1.0.1
+  - rmg::pydas >=1.0.3
   - pydot
-  - pydqed >=1.0.0
+  - rmg::pydqed >=1.0.3
   - pyparsing
   - python >=3.7
   - pytorch
-  - quantities
+  - rmg::quantities
+  - rmg::rdkit >=2020.03.3.0
   - scipy
   - solprop_ml >=1.2
-  - symmetry
+  - rmg::symmetry
   - torchvision
   - torchaudio
-  - rdkit >=2018
   - xlrd
   - xlsxwriter
   - xlwt