From c1ef45dfb4784f44eadb19d35cb9293f0dee0507 Mon Sep 17 00:00:00 2001 From: David Schaller Date: Mon, 23 Aug 2021 12:58:38 +0200 Subject: [PATCH 1/2] move mdanalysis to conda-forge --- devtools/conda-envs/test_env.yaml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index 6929a83f..bbc9347d 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -27,6 +27,7 @@ dependencies: - papermill 2.2.* - matplotlib-base - ruamel.yaml + - mdanalysis >=2.0.0 # Development - jupyterlab @@ -75,5 +76,3 @@ dependencies: - sphinx-material # local building - sphinx-autobuild - # no stable release yet with support for serialization - - MDAnalysis==2.0.0b0 From ed0f28143546e48429296f1a58aa7c271a7110fa Mon Sep 17 00:00:00 2001 From: David Schaller Date: Mon, 23 Aug 2021 12:59:38 +0200 Subject: [PATCH 2/2] remove prody dependency --- devtools/conda-envs/test_env.yaml | 2 -- 1 file changed, 2 deletions(-) diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index bbc9347d..54c5d234 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -55,8 +55,6 @@ dependencies: - https://github.com/ValentinFigue/Sklearn_PyTorch/archive/1b56a43e41de331ecdf73d08418f75bb34c9fa06.tar.gz # OpenCADD - https://github.com/volkamerlab/opencadd/archive/master.tar.gz - # ProDy - - prody==1.10.11 # Docs # core - sphinx~=2.4.0