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Reverting prod envs to use current alchemiscale release pins
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dotsdl committed Jun 5, 2024
1 parent b7d67d5 commit 9365cdd
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Showing 3 changed files with 9 additions and 9 deletions.
6 changes: 3 additions & 3 deletions devtools/conda-envs/alchemiscale-client.yml
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,8 @@ dependencies:
- python =3.10

# alchemiscale dependencies
- gufe=1.0.0
- openfe=1.0.1
- gufe=0.9.5
- openfe=0.14.0
- openmmforcefields>=0.12.0
- requests
- click
Expand All @@ -32,5 +32,5 @@ dependencies:
- pip:
- nest_asyncio
- async_lru
- git+https://github.com/openforcefield/alchemiscale.git@v0.4.1-beta.1
- git+https://github.com/openforcefield/alchemiscale.git@v0.4.0
- git+https://github.com/choderalab/perses.git@protocol-neqcyc
6 changes: 3 additions & 3 deletions devtools/conda-envs/alchemiscale-compute.yml
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,8 @@ dependencies:
- cudatoolkit <=11.7 # many actual compute resources are not yet compatible with cudatoolkit >=11.8

# alchemiscale dependencies
- gufe=1.0.0
- openfe=1.0.1
- gufe=0.9.5
- openfe=0.14.0
- openmmforcefields>=0.12.0
- requests
- click
Expand All @@ -28,5 +28,5 @@ dependencies:

- pip:
- async_lru
- git+https://github.com/openforcefield/alchemiscale.git@v0.4.1-beta.1
- git+https://github.com/openforcefield/alchemiscale.git@v0.4.0
- git+https://github.com/choderalab/perses.git@protocol-neqcyc
6 changes: 3 additions & 3 deletions devtools/conda-envs/alchemiscale-server.yml
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,8 @@ dependencies:
- python =3.10

# alchemiscale dependencies
- gufe=1.0.0
- openfe=1.0.1
- gufe=0.9.5
- openfe=0.14.0

- openmmforcefields>=0.12.0
- requests
Expand Down Expand Up @@ -48,5 +48,5 @@ dependencies:

- pip:
- async_lru
- git+https://github.com/openforcefield/alchemiscale.git@v0.4.1-beta.1
- git+https://github.com/openforcefield/alchemiscale.git@v0.4.0
- git+https://github.com/choderalab/perses.git@protocol-neqcyc

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