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cclib
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alongd committed Jun 26, 2024
1 parent 1672db1 commit 4ceae38
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ name: t3_env
channels:
- conda-forge
dependencies:
- python >=3.8
- python >=3.7
- pydot
- cantera >=2.6
- ca-certificates
Expand All @@ -21,7 +21,7 @@ dependencies:
- rmg::pydqed
- psutil
- rmg::pydas
- cclib >=1.7.2
- conda-forge::cclib >=1.6.3,<1.8.0
- openbabel >=3.1.1
- lpsolve55
- numdifftools >=0.9.41
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