Skip to content

Commit

Permalink
Specify openbabel >= 3 in environment.yml
Browse files Browse the repository at this point in the history
  • Loading branch information
alongd committed May 6, 2021
1 parent f643b7c commit 924be81
Showing 1 changed file with 19 additions and 21 deletions.
40 changes: 19 additions & 21 deletions environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -2,61 +2,59 @@ 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
- ffmpeg
- 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

0 comments on commit 924be81

Please sign in to comment.