update requirements

volkamerlab · Feb 2, 2021 · 3476482 · 3476482
1 parent dc3ebef
commit 3476482
Show file tree

Hide file tree

Showing 4 changed files with 5 additions and 2 deletions.
diff --git a/devtools/conda-envs/test_env.yml b/devtools/conda-envs/test_env.yml
@@ -1,7 +1,6 @@
 name: teachopencadd
 channels:
   - conda-forge
-  - bioconda
   - defaults
 dependencies:
   - python>=3.6

diff --git a/devtools/conda-envs/users_env.yml b/devtools/conda-envs/users_env.yml
@@ -4,7 +4,6 @@
 name: teachopencadd
 channels:
   - conda-forge
-  - bioconda
   - defaults
 dependencies:
   - python>=3.6

diff --git a/devtools/conda-recipe/meta.yaml b/devtools/conda-recipe/meta.yaml
@@ -39,6 +39,10 @@ requirements:
     - mdanalysis
     - plip
     - biopython<=1.77
+    - redo
+    - requests-cache
+    - suds-community
+    - smina
     # note there are some pip dependencies not available in conda yet!
     # check /environment.yml for details
 

diff --git a/environment.yml b/environment.yml
@@ -32,6 +32,7 @@ dependencies:
   - redo
   - requests-cache
   - suds-community
+  - smina
   ## CI tests
   # Workaround for https://github.com/computationalmodelling/nbval/issues/153
   - pytest 5.*