From 924be8183fbbd383162df12aa95f9eb3dc76710d Mon Sep 17 00:00:00 2001
From: Alon Grinberg Dana <alon@technion.ac.il>
Date: Thu, 6 May 2021 10:53:18 +0300
Subject: [PATCH] Specify openbabel >= 3 in environment.yml

---
 environment.yml | 40 +++++++++++++++++++---------------------
 1 file changed, 19 insertions(+), 21 deletions(-)

diff --git a/environment.yml b/environment.yml
index 3fc55247..5971a41d 100644
--- a/environment.yml
+++ b/environment.yml
@@ -2,18 +2,13 @@ name: t3_env
 channels:
   - defaults
   - rmg
-  - anaconda
-  - omnia
   - conda-forge
-  - mjohnson541
 dependencies:
-  - ase >=3.15.0
   - cairo
   - cairocffi
   - rmg::cantera >=2.3.0
-  - cclib >=1.6
+  - conda-forge::cclib >=1.6.3
   - rmg::chemprop
-  - codecov
   - coolprop
   - coverage
   - cython >=0.25.2
@@ -21,42 +16,45 @@ dependencies:
   - rmg::gprof2dot
   - graphviz
   - h5py
-  - ipython
   - jinja2
   - jupyter
   - rmg::lpsolve55
-  - mako
   - markupsafe
-  - matplotlib >=2.2.2
-  - mkdocs-material >=5.1.7
-  - mkdocs-material-extensions
-  - mock
+  - matplotlib >=1.5
   - rmg::mopac
   - mpmath
+  - rmg::muq2
   - networkx
-  - nose
   - rmg::numdifftools
-  - numpy >=1.15.4
-  - openbabel
-  - paramiko >=2.6.0
+  - numpy >=1.10.0
+  - conda-forge::openbabel >= 3
   - pandas
   - psutil
-  - py3dmol >= 0.8.0
   - rmg::pydas >=1.0.2
   - pydot
   - rmg::pydqed >=1.0.1
   - pymongo
   - pyparsing
   - rmg::pyrdl
-  - pyrms
   - python >=3.7
-  - pytest
   - pyyaml
-  - qcelemental
   - rmg::quantities
   - rmg::rdkit >=2020.03.3.0
   - scikit-learn
   - scipy
-  - sphinx
   - rmg::symmetry
+  - xlrd
   - xlwt
+  - anaconda::sphinx_rtd_theme
+  - anaconda::paramiko >=2.6.0
+  - conda-forge::py3dmol >= 0.8.0
+  - conda-forge::ase >=3.15.0
+  - anaconda::ipython
+  - anaconda::sphinx
+  - conda-forge::qcelemental
+  - mako
+  - conda-forge::mkdocs-material >=5.1.7
+  - conda-forge::mkdocs-material-extensions
+  - conda-forge::mock
+  - mjohnson541::pyrms
+  - anaconda::pytest