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Merge pull request OpenFreeEnergy#158 from openforcefield/deploy-open…
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…fe-0.11.0

Update prod envs to use openfe 0.11.0
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dotsdl committed Jul 7, 2023
2 parents 45f4144 + d5858d2 commit 90be84c
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Showing 3 changed files with 6 additions and 9 deletions.
5 changes: 2 additions & 3 deletions devtools/conda-envs/alchemiscale-client.yml
Original file line number Diff line number Diff line change
Expand Up @@ -8,8 +8,8 @@ dependencies:
- python =3.10

# alchemiscale dependencies
#- gufe=0.9.1
- openfe=0.10.1
- gufe=0.9.1
- openfe=0.11.0
- requests
- click
- httpx
Expand All @@ -29,6 +29,5 @@ dependencies:
- pip:
- nest_asyncio
- async_lru
- git+https://github.com/OpenFreeEnergy/[email protected]
- git+https://github.com/openforcefield/[email protected]
- git+https://github.com/choderalab/perses.git@protocol-neqcyc
5 changes: 2 additions & 3 deletions devtools/conda-envs/alchemiscale-compute.yml
Original file line number Diff line number Diff line change
Expand Up @@ -8,8 +8,8 @@ dependencies:
- cudatoolkit <=11.7 # many actual compute resources are not yet compatible with cudatoolkit >=11.8

# alchemiscale dependencies
#- gufe=0.9.1
- openfe=0.10.1
- gufe=0.9.1
- openfe=0.11.0
- requests
- click
- httpx
Expand All @@ -25,6 +25,5 @@ dependencies:

- pip:
- async_lru
- git+https://github.com/OpenFreeEnergy/[email protected]
- git+https://github.com/openforcefield/[email protected]
- git+https://github.com/choderalab/perses.git@protocol-neqcyc
5 changes: 2 additions & 3 deletions devtools/conda-envs/alchemiscale-server.yml
Original file line number Diff line number Diff line change
Expand Up @@ -8,8 +8,8 @@ dependencies:
- python =3.10

# alchemiscale dependencies
#- gufe=0.9.1
- openfe=0.10.1
- gufe=0.9.1
- openfe=0.11.0
- requests
- click

Expand Down Expand Up @@ -43,6 +43,5 @@ dependencies:

- pip:
- async_lru
- git+https://github.com/OpenFreeEnergy/[email protected]
- git+https://github.com/openforcefield/[email protected]
- git+https://github.com/choderalab/perses.git@protocol-neqcyc

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