Merge branch 'main' of github.com:Becksteinlab/GromacsWrapper

Becksteinlab · Sep 16, 2023 · f423a94 · f423a94
2 parents feebcd6 + e2a757c
commit f423a94
Show file tree

Hide file tree

Showing 5 changed files with 16 additions and 10 deletions.
diff --git a/readthedocs.yml → .readthedocs.yml b/readthedocs.yml → .readthedocs.yml
@@ -4,20 +4,22 @@
 
 version: 2
 
+build:
+  os: "ubuntu-22.04"
+  tools:
+    python: "3.11"
+
 sphinx:
     configuration: doc/sphinx/source/conf.py
 
 # Optionally build your docs in additional formats such as PDF and ePub
 formats: all
 
-
 python:
-    version: 3.6
     install:
       - method: pip
         path: .
-      - requirements: ci/requirements.txt
-    system_packages: true
+      - requirements: ci/readthedocs/requirements.txt
 
 conda:
-    environment: ci/environment.yml
+    environment: ci/readthedocs/environment.yml
diff --git a/ci/conda-envs/test_env.yaml b/ci/conda-envs/test_env.yaml
@@ -7,4 +7,4 @@ dependencies:
 - numpy>=1.0
 - matplotlib
 - pandas>=0.17
-- numkit
+- numkit>=1.0
diff --git a/ci/environment.yml → ci/readthedocs/environment.yml b/ci/environment.yml → ci/readthedocs/environment.yml
@@ -1,5 +1,5 @@
 name: gw
 channels:
-- bioconda
+- conda-forge
 dependencies:
-- gromacs
+- gromacs==2023.1
diff --git a/ci/readthedocs/requirements.txt b/ci/readthedocs/requirements.txt
@@ -0,0 +1,6 @@
+six
+numpy>=1.0
+matplotlib
+pandas
+numkit>=1.0
+
diff --git a/ci/requirements.txt b/ci/requirements.txt