From c31a4ac040a30129872e44e4410bd65afb193852 Mon Sep 17 00:00:00 2001
From: chrisjonesbsu <chrisjones4@u.boisestate.edu>
Date: Mon, 13 Nov 2023 14:40:10 -0700
Subject: [PATCH 1/3] update env file to use conda packages for cmeutils and
 grits, pin latest versions

---
 environment-cpu.yml | 22 ++++++++--------------
 environment-gpu.yml | 22 ++++++++--------------
 setup.py            | 21 ++-------------------
 3 files changed, 18 insertions(+), 47 deletions(-)

diff --git a/environment-cpu.yml b/environment-cpu.yml
index 7f90b5e9..97d2e71d 100644
--- a/environment-cpu.yml
+++ b/environment-cpu.yml
@@ -2,13 +2,13 @@ name: flowermd
 channels:
   - conda-forge
 dependencies:
-  - boltons
   - foyer
   - fresnel
-  - freud>=2.13.1
-  - gsd>=3.0
-  - hoomd=4.1=*cpu*
-  - mbuild
+  - freud >=2.13.1
+  - gmso >=0.11.2
+  - gsd >=3.0
+  - hoomd=4.3=*cpu*
+  - mbuild >=0.16.4
   - numpy
   - openbabel
   - pip
@@ -16,12 +16,6 @@ dependencies:
   - pytest
   - pytest-cov
   - python=3.9
-  - unyt
-  - symengine
-  - python-symengine
-  - sympy
-  - fresnel
-  - pip:
-      - git+https://github.com/mosdef-hub/gmso.git@main
-      - git+https://github.com/cmelab/cmeutils.git@master
-      - git+https://github.com/cmelab/grits.git@main
+  - fresnel >=0.13.5
+  - cmeutils >=0.0.3
+  - grits >=0.3.0
diff --git a/environment-gpu.yml b/environment-gpu.yml
index f557c09f..5ad6c2c8 100644
--- a/environment-gpu.yml
+++ b/environment-gpu.yml
@@ -2,13 +2,13 @@ name: flowermd
 channels:
   - conda-forge
 dependencies:
-  - boltons
   - foyer
   - fresnel
-  - freud>=2.13.1
-  - gsd>=3.0
-  - hoomd=4.1=*gpu*
-  - mbuild
+  - freud >=2.13.1
+  - gmso >=0.11.2
+  - gsd >=3.0
+  - hoomd=4.3=*gpu*
+  - mbuild >=0.16.4
   - numpy
   - openbabel
   - pip
@@ -16,12 +16,6 @@ dependencies:
   - pytest
   - pytest-cov
   - python=3.9
-  - unyt
-  - symengine
-  - python-symengine
-  - sympy
-  - fresnel
-  - pip:
-      - git+https://github.com/mosdef-hub/gmso.git@main
-      - git+https://github.com/cmelab/cmeutils.git@master
-      - git+https://github.com/cmelab/grits.git@main
+  - fresnel >=0.13.5
+  - cmeutils >=0.0.3
+  - grits >=0.3.0
diff --git a/setup.py b/setup.py
index c20bb9de..84ba7ef4 100644
--- a/setup.py
+++ b/setup.py
@@ -1,12 +1,3 @@
-#!/usr/bin/env python
-# -*- coding: utf-8 -*-
-
-# Example copied with love from:
-# https://github.com/kennethreitz/setup.py/blob/master/setup.py
-
-# Note: To use the 'upload' functionality of this file, you must:
-#   $ pip install twine
-
 import os
 import sys
 from shutil import rmtree
@@ -16,7 +7,7 @@
 # Package meta-data.
 NAME = "flowermd"
 DESCRIPTION = (
-    "Package making it easier to build and simulate polymers in Hoomd-Blue"
+    "Package making it easier to build and simulate polymers in Hoomd-Blue."
 )
 URL = "https://github.com/cmelab/flowerMD"
 EMAIL = "chrisjones4@u.boisestate.edu"
@@ -81,7 +72,6 @@ def run(self):
         sys.exit()
 
 
-# Where the magic happens:
 setup(
     name=NAME,
     version=about["__version__"],
@@ -96,11 +86,6 @@ def run(self):
             "docs",
         )
     ),
-    # If your package is a single module, use this instead of 'packages':
-    # py_modules=['mypackage'],
-    # entry_points={
-    #     'console_scripts': ['mycli=mymodule:cli'],
-    # },
     package_data={
         "flowermd": [
             "modules/*",
@@ -111,10 +96,8 @@ def run(self):
     },
     install_requires=REQUIRED,
     include_package_data=True,
-    license="MIT",
+    license="GPLv3",
     classifiers=[
-        # Trove classifiers
-        # Full list: https://pypi.python.org/pypi?%3Aaction=list_classifiers
         "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
         "Programming Language :: Python",
         "Programming Language :: Python :: 3",

From e318b844382b8092d29c86a18f56240619991371 Mon Sep 17 00:00:00 2001
From: chrisjonesbsu <chrisjones4@u.boisestate.edu>
Date: Mon, 13 Nov 2023 16:07:32 -0700
Subject: [PATCH 2/3] change cmeutils and python versions

---
 environment-cpu.yml | 4 ++--
 environment-gpu.yml | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/environment-cpu.yml b/environment-cpu.yml
index 97d2e71d..8fb24195 100644
--- a/environment-cpu.yml
+++ b/environment-cpu.yml
@@ -15,7 +15,7 @@ dependencies:
   - py3Dmol
   - pytest
   - pytest-cov
-  - python=3.9
+  - python >=3.9
   - fresnel >=0.13.5
-  - cmeutils >=0.0.3
+  - cmeutils >=1.0
   - grits >=0.3.0
diff --git a/environment-gpu.yml b/environment-gpu.yml
index 5ad6c2c8..4fcf2d0c 100644
--- a/environment-gpu.yml
+++ b/environment-gpu.yml
@@ -15,7 +15,7 @@ dependencies:
   - py3Dmol
   - pytest
   - pytest-cov
-  - python=3.9
+  - python >=3.10
   - fresnel >=0.13.5
-  - cmeutils >=0.0.3
+  - cmeutils >=1.0
   - grits >=0.3.0

From 66dc2e3ca0c487bee635771ca7c474071af8ac32 Mon Sep 17 00:00:00 2001
From: chrisjonesbsu <chrisjones4@u.boisestate.edu>
Date: Mon, 13 Nov 2023 16:10:12 -0700
Subject: [PATCH 3/3] fix python version

---
 environment-cpu.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/environment-cpu.yml b/environment-cpu.yml
index 8fb24195..942b2788 100644
--- a/environment-cpu.yml
+++ b/environment-cpu.yml
@@ -15,7 +15,7 @@ dependencies:
   - py3Dmol
   - pytest
   - pytest-cov
-  - python >=3.9
+  - python >=3.10
   - fresnel >=0.13.5
   - cmeutils >=1.0
   - grits >=0.3.0