Add optional confpass dependency

pnnl · Apr 2, 2024 · 9751ff2 · 9751ff2
1 parent 4a1a6c7
commit 9751ff2
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diff --git a/requirements.txt b/requirements.txt
@@ -5,3 +5,4 @@ pandas >= 1.1.4
 # rdkit >= 2023.09.1
 snakemake >= 6.3.0
 statsmodels >= 0.11.1
+git+https://github.com/Goodman-lab/CONFPASS.git; extra == "confpass"
diff --git a/setup.py b/setup.py
@@ -29,6 +29,7 @@
     packages=pkgs,
     python_requires="==3.9.*",
     install_requires=install_requires,
+    extras_requires={"confpass": ["git+https://github.com/Goodman-lab/CONFPASS.git"]},
     classifiers=[
         "Intended Audience :: Science/Research",
         "Topic :: Scientific/Engineering :: Chemistry",