From 3f742f3fa270719195b15d8472a53d3395aa8c95 Mon Sep 17 00:00:00 2001
From: Patrick Huck <phuck@lbl.gov>
Date: Thu, 27 Oct 2022 12:28:49 -0700
Subject: [PATCH] setup.py: explicitly list dependencies

---
 setup.py | 44 +++++++++++++++++++++++---------------------
 1 file changed, 23 insertions(+), 21 deletions(-)

diff --git a/setup.py b/setup.py
index a99349193..07776ec85 100644
--- a/setup.py
+++ b/setup.py
@@ -6,24 +6,14 @@
 
 module_dir = os.path.dirname(os.path.abspath(__file__))
 
-# Requirements
-reqs_file = os.path.join(module_dir, "requirements.txt")
-with open(reqs_file) as f:
-    reqs_raw = f.read()
-reqs_list = [r.replace("==", ">=") for r in reqs_raw.split("\n")]
-
-# Optional requirements
-extras_file = os.path.join(module_dir, "requirements-optional.txt")
-with open(extras_file) as f:
-    extras_raw = f.read()
-extras_raw = [r for r in extras_raw.split("##") if r.strip() and "#" not in r]
-extras_dict = {}
-for req in extras_raw:
-    items = [i.replace("==", ">=") for i in req.split("\n") if i.strip()]
-    dependency_name = items[0].strip()
-    dependency_reqs = [i.strip() for i in items[1:] if i.strip()]
-    extras_dict[dependency_name] = dependency_reqs
-extras_list = [r for d in extras_dict.values() for r in d]
+extras_require = {
+    "mpds": ["ujson", "jmespath", "httplib2", "ase"],
+    "dscribe": ["dscribe"],
+    "mdfforge": ["mdf-forge"],
+    "aflow": ["aflow"],
+    "citrine": ["citrination-client"]
+}
+tests_require = [r for v in extras_require.values() for r in v]
 
 if __name__ == "__main__":
     setup(
@@ -39,8 +29,20 @@
         packages=find_packages(),
         include_package_data=True,
         zip_safe=False,
-        install_requires=reqs_list,
-        extras_require=extras_dict,
+        install_requires=[
+            "numpy>=1.20.1",
+            "requests",
+            "pandas",
+            "tqdm",
+            "pymongo",
+            "future",
+            "scikit_learn",
+            "sympy",
+            "monty",
+            "pymatgen",
+            "jsonschema"
+        ],
+        extras_require=extras_require,
         classifiers=[
             'Programming Language :: Python :: 3.8',
             'Programming Language :: Python :: 3.9',
@@ -52,6 +54,6 @@
             'Topic :: Other/Nonlisted Topic',
             'Topic :: Scientific/Engineering'],
         test_suite='matminer',
-        tests_require=extras_list,
+        tests_require=tests_require,
         scripts=[]
     )