Updated env to align with RMG's

environment.yml

@@ -1,41 +1,43 @@
 name: t3_env
 channels:
+  - defaults
   - conda-forge
 dependencies:
-  - python=3.7
-  - pydot
+  - xlwt
+  - psutil
+  - coolprop
   - cantera=2.6
+  - cclib >=1.6.3,<1.8.0
+  - openbabel >=3
+  - rdkit >=2022.09.1
+  - python >=3.7
+  - scikit-learn
+  - scipy >=1.11
+  - numpy >=1.21.6
+  - pydot
+  - jupyter
+  - pyyaml
+  - networkx
+  - pytest
+  - matplotlib >=1.5
+  - mpmath
+  - conda-forge::numdifftools
+  - quantities
+  - lpsolve55
+  - rmg::pydas >=1.0.3
+  - rmg::pydqed >=1.0.3
+  - rmg::pyrdl
+  - rmg::symmetry
+
   - ca-certificates
   - openssl
   - ipython
-  - pyyaml
-  - rdkit >=2022.09.1
-  - quantities >=0.13.0
   - certifi
-  - rmg::pyrdl
-  - scipy >=1.7.3
   - mkl
-  - scikit-learn >=1.0.2
-  - mpmath >=1.3.0
-  - coolprop
-  - rmg::pydqed
-  - psutil
-  - rmg::pydas
-  - cclib >=1.7.2
-  - openbabel >=3.1.1
-  - lpsolve55
-  - numdifftools >=0.9.41
   - qcelemental >=0.25.1
   - paramiko
   - py3dmol
-  - numpy >=1.21.6
-  - ase
-  - xlwt
-  - networkx
   - mako
-  - pytest
-  - rmg::symmetry
-  - matplotlib
   - mkdocs-material >=5.1.7
   - mkdocs-material-extensions
   - mock