From 6e726f4e54f393d2defba12677a486db2bd5c1f9 Mon Sep 17 00:00:00 2001 From: David Dotson Date: Tue, 3 Dec 2024 11:42:40 -0700 Subject: [PATCH] Update deployment envs, user guide to use release 0.5.3. --- devtools/conda-envs/alchemiscale-client.yml | 4 ++-- devtools/conda-envs/alchemiscale-compute.yml | 4 ++-- devtools/conda-envs/alchemiscale-server.yml | 4 ++-- devtools/conda-envs/test.yml | 2 +- docs/user_guide.rst | 2 +- 5 files changed, 8 insertions(+), 8 deletions(-) diff --git a/devtools/conda-envs/alchemiscale-client.yml b/devtools/conda-envs/alchemiscale-client.yml index 6f2ae9be..8c31ae87 100644 --- a/devtools/conda-envs/alchemiscale-client.yml +++ b/devtools/conda-envs/alchemiscale-client.yml @@ -21,7 +21,7 @@ dependencies: - nest-asyncio # openmm protocols - - feflow=0.1.0 + - feflow=0.1.1 # additional pins - openmm=8.1.2 @@ -29,4 +29,4 @@ dependencies: - openff-units=0.2.2 - pip: - - git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.2 + - git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.3 diff --git a/devtools/conda-envs/alchemiscale-compute.yml b/devtools/conda-envs/alchemiscale-compute.yml index f93cd1f3..39307fc8 100644 --- a/devtools/conda-envs/alchemiscale-compute.yml +++ b/devtools/conda-envs/alchemiscale-compute.yml @@ -17,7 +17,7 @@ dependencies: - async-lru # openmm protocols - - feflow=0.1.0 + - feflow=0.1.1 # additional pins - openmm=8.1.2 @@ -25,4 +25,4 @@ dependencies: - openff-units=0.2.2 - pip: - - git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.2 + - git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.3 diff --git a/devtools/conda-envs/alchemiscale-server.yml b/devtools/conda-envs/alchemiscale-server.yml index ae871cca..87474c87 100644 --- a/devtools/conda-envs/alchemiscale-server.yml +++ b/devtools/conda-envs/alchemiscale-server.yml @@ -35,7 +35,7 @@ dependencies: - cryptography # openmm protocols - - feflow=0.1.0 + - feflow=0.1.1 # additional pins - openmm=8.1.2 @@ -46,4 +46,4 @@ dependencies: - curl # used in healthchecks for API services - pip: - - git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.2 + - git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.3 diff --git a/devtools/conda-envs/test.yml b/devtools/conda-envs/test.yml index fc447422..b7dd56a4 100644 --- a/devtools/conda-envs/test.yml +++ b/devtools/conda-envs/test.yml @@ -35,7 +35,7 @@ dependencies: - cryptography # openmm protocols - - feflow>=0.1.0 + - feflow>=0.1.1 ## cli - click diff --git a/docs/user_guide.rst b/docs/user_guide.rst index da88b10f..dec60bf7 100644 --- a/docs/user_guide.rst +++ b/docs/user_guide.rst @@ -16,7 +16,7 @@ Clone alchemiscale from Github, and switch to the latest release tag:: $ git clone https://github.com/OpenFreeEnergy/alchemiscale.git $ cd alchemiscale - $ git checkout v0.5.2 + $ git checkout v0.5.3 Create a conda environment using, e.g. `micromamba`_::