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1 parent da5bfc3 commit 2ede7c0Copy full SHA for 2ede7c0
.conda/meta.yaml
@@ -16,7 +16,7 @@ requirements:
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- cython >=0.25.2
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- lpsolve55
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- numpy
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- - openbabel
+ - openbabel >=3
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- pydas >=1.0.2
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- pydqed >=1.0.1
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- pyrdl
@@ -29,7 +29,7 @@ requirements:
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- cairo
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- cairocffi
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- cantera >=2.3.0
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- - cclib
+ - cclib >=1.6.3
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- chemprop
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- coolprop
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- coverage
@@ -50,7 +50,7 @@ requirements:
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- nose
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- numdifftools
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- {{ pin_compatible('numpy') }}
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- pandas
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- psutil
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@@ -64,7 +64,7 @@ requirements:
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- pyzmq
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- quantities
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- rdkit >=2018
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- - rmgdatabase >=3.0.0
+ - rmgdatabase >=3.1.0
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- scikit-learn
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- scipy
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- symmetry
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