add ESPF file in the pip files

kexinhuang12345 · Dec 25, 2020 · 7f14fc2 · 7f14fc2
1 parent 795f10e
commit 7f14fc2
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Showing 3 changed files with 5 additions and 6 deletions.
diff --git a/MANIFEST.in b/MANIFEST.in
@@ -3,4 +3,5 @@ prune toy_data
 prune docs
 include README.md
 include requirements.txt
-include LICENSE
+include LICENSE
+include DeepPurpose/ESPF
diff --git a/README.md b/README.md
@@ -340,12 +340,9 @@ We recommend to install it locally since Binder needs to be refreshed every time
 conda create -n DeepPurpose python=3.6
 conda activate DeepPurpose
 conda install -c conda-forge rdkit
+pip install git+https://github.com/bp-kelley/descriptastorus 
 pip install DeepPurpose
 ```
-If you want to use the RDKit2D model, also install:
-```bash
-pip install git+https://github.com/bp-kelley/descriptastorus
-```
 
 You can also build from source:
 

diff --git a/setup.py b/setup.py
@@ -14,7 +14,8 @@ def readme():
 setup(
     name="DeepPurpose", 
     packages = ['DeepPurpose'],
-    version="0.0.4",
+    package_data={'DeepPurpose': ['ESPF/*']},
+    version="0.0.5",
     author="Kexin Huang, Tianfan Fu",
     license="BSD-3-Clause",
     author_email="[email protected]",