Merge pull request #39 from rsdefever/maint/requirements

Update requirements files to be consistent with conda build
MaginnGroup · Mar 26, 2020 · 4e1b03b · 4e1b03b
2 parents c0b23dc + 9f33011
commit 4e1b03b
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Showing 4 changed files with 25 additions and 5 deletions.
diff --git a/requirements-dev.txt b/requirements-dev.txt
@@ -1,5 +1,6 @@
 numpy
 parmed
+networkx
 foyer >= 0.7.3
 mbuild >= 0.10.5
 openbabel

diff --git a/requirements-test.txt b/requirements-test.txt
@@ -1,5 +1,6 @@
 numpy
 parmed
+networkx
 foyer >= 0.7.3
 mbuild >= 0.10.5
 openbabel

diff --git a/requirements.txt b/requirements.txt
@@ -1,5 +1,5 @@
 numpy
 parmed
-foyer >= 0.7.3
+networkx
 mbuild >= 0.10.5
 cassandra >= 1.2.2
diff --git a/setup.py b/setup.py
@@ -1,11 +1,29 @@
 from setuptools import setup, find_packages
 
+#####################################
+VERSION = "0.1.1"
+ISRELEASED = True
+if ISRELEASED:
+    __version__ = VERSION
+else:
+    __version__ = VERSION + ".dev0"
+#####################################
+
+requirements = [
+    "numpy",
+    "parmed",
+    "networkx",
+    "mbuild >=0.10.5",
+]
+
 setup(
     name="mosdef_cassandra",
-    version="0.0.0",
-    author="Ryan S. DeFever",
-    author_email="[email protected]",
-    url="https://github.com/rsdefever/mosdef_cassandra",
+    version=__version__,
     packages=find_packages(),
     license="MIT",
+    author="Ryan S. DeFever",
+    author_email="[email protected]",
+    url="https://github.com/MaginnGroup/mosdef_cassandra",
+    install_requires=requirements,
+    python_requires=">=3.6, <4",
 )