install fragmenter with conda env

openforcefield · Aug 9, 2019 · 0c53ab2 · 0c53ab2
1 parent 93dd838
commit 0c53ab2
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diff --git a/.readthedocs.yml b/.readthedocs.yml
@@ -0,0 +1,5 @@
+conda:
+    file: docs/environment.yml
+
+python:
+    setup_py_install: true
diff --git a/docs/environment.yml b/docs/environment.yml
@@ -0,0 +1,19 @@
+name: fragmenter
+channels:
+  - openeye
+  - rdkit
+  - conda-forge
+
+dependencies:
+
+    # Base Depends
+  - python
+  - setuptools
+  - openeye-toolkits
+  - rdkit
+  - pyyaml
+  - pip
+  - numpydoc
+    # Pip depends
+  - pip:
+    - git+git://github.com/openforcefield/cmiles.git@v0.1.5#egg=cmiles
diff --git a/docs/requirements.txt b/docs/requirements.txt