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patch suggested by a fellow rse
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JacksonBurns committed Sep 21, 2023
1 parent eb7dd50 commit 59c3ec2
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6 changes: 6 additions & 0 deletions .conda/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -63,6 +63,8 @@ requirements:
- symmetry
- chemprop==0.0.1
- rdkit >=2020.03.3.0

- liblapack =*=*mkl
run:
- cairo
- cairocffi
Expand Down Expand Up @@ -114,6 +116,8 @@ requirements:
- symmetry
- chemprop==0.0.1
- rdkit >=2020.03.3.0

- liblapack =*=*mkl
test:
requires:
- cairo
Expand Down Expand Up @@ -166,6 +170,8 @@ test:
- symmetry
- chemprop==0.0.1
- rdkit >=2020.03.3.0

- liblapack =*=*mkl
source_files:
- 'examples/rmg/superminimal'
- 'examples/arkane/networks/n-butanol'
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2 changes: 2 additions & 0 deletions environment.yml
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Expand Up @@ -98,6 +98,8 @@ dependencies:
# We should use the official channel, not sure how difficult this
# change will be.

- liblapack =*=*mkl

# additional packages that are required, but not specified here (and why)
# pydqed, pydas, mopac, and likely others require a fortran compiler (specifically gfortran)
# in the environment. Normally we would add this to the environment file with
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