From 1c986de9dfebcd3eaa57d2612e697401b457adf7 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Thu, 25 Jan 2024 10:27:07 -0500
Subject: [PATCH 01/10] Add create_test_plot script; can check if GCPy is
 installed properly

gcpy/examples/plotting/create_test_plot.py
- Script to create a dummy plot that renders to the screen.
  Useful for checking if "import gcpy" works properly.

gcpy/examples/plotting/__init__.py
- Added create_test_plot.py

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 CHANGELOG.md                               |  5 ++
 gcpy/examples/plotting/__init__.py         |  1 +
 gcpy/examples/plotting/create_test_plot.py | 55 ++++++++++++++++++++++
 3 files changed, 61 insertions(+)
 create mode 100755 gcpy/examples/plotting/create_test_plot.py

diff --git a/CHANGELOG.md b/CHANGELOG.md
index d6258b7e..86335626 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -4,6 +4,11 @@ All notable changes to GCPy will be documented in this file.
 
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+## [Unreleased] - TBD
+### Added
+- Example script `create_test_plot.py`, which can be used to check that GCPy has been installed properly
+
+
 ## [1.4.1] - 2023-12-08
 ### Fixed
 - Now use the proper default value for the `--weightsdir` argument to `gcpy/file_regrid.py`
diff --git a/gcpy/examples/plotting/__init__.py b/gcpy/examples/plotting/__init__.py
index b9f7dd64..7aa3eac5 100644
--- a/gcpy/examples/plotting/__init__.py
+++ b/gcpy/examples/plotting/__init__.py
@@ -1,5 +1,6 @@
 """
 GCPy import script
 """
+from .create_test_plot import *
 from .plot_single_panel import *
 from .plot_comparisons import *
diff --git a/gcpy/examples/plotting/create_test_plot.py b/gcpy/examples/plotting/create_test_plot.py
new file mode 100755
index 00000000..848677ff
--- /dev/null
+++ b/gcpy/examples/plotting/create_test_plot.py
@@ -0,0 +1,55 @@
+#!/usr/bin/env python
+
+"""
+Creates a dummy xarray DataArray object for testing the single_panel
+plotting routine.  This script can be a useful check to see whether the
+GCPy mamba/conda environment has been successfully installed.
+"""
+
+import numpy as np
+import xarray as xr
+import matplotlib.pyplot as plt
+import gcpy
+
+
+def main():
+    """
+    Main program: Creates a dummy plot
+    """
+    
+    # Get X and Y coordinate arrays
+    n_lat = 181
+    n_lon = 361
+    lat_vals = np.linspace(-90, 90, n_lat)
+    lon_vals = np.linspace(-180, 180, n_lon)
+    
+    # Create a dummy numpy array for plotting
+    # Populate it with the distance from the center of the plot
+    data = np.zeros([n_lat, n_lon])
+    for lat in range(n_lat):
+        for lon in range(n_lon):
+            data[lat, lon] = np.sqrt(lon_vals[lon]**2 + lat_vals[lat]**2)
+            
+    # Create a Dataarray from the numpy array
+    darr = xr.DataArray(
+        data=data,
+        dims=["lat", "lon"],
+        coords=dict(
+            lat=("lat", lat_vals),
+            lon=("lon", lon_vals),
+        ),
+    )
+    
+    # Create a plot
+    gcpy.plot.single_panel(
+        darr,
+        plot_type="single_level",
+        title="Test plot to check GCPy import",
+        extent=[-180, 180, -90, 90],
+        comap=plt.get_cmap("RdBu_r")
+    )
+    plt.show()
+
+
+if __name__ == '__main__':
+    main()

From 730cb82f51d6ce430dd0f6f7046222f14b527f94 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Thu, 25 Jan 2024 11:23:35 -0500
Subject: [PATCH 02/10] Add GitHub action "build-gcpy-environment"

.github/workflows/build-gcpy-environment.yml
- Added this configuration file for the "build-gcpy-environment"
  GitHub action.  This runs on pushes or PRs made to the main or
  dev branches.  The PR will use setup-micromamba to build the gcpy
  environment, import gcpy, and call a simple plotting script.

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 .github/workflows/build-gcpy-environment.yml | 34 ++++++++++++++++++++
 CHANGELOG.md                                 |  2 +-
 2 files changed, 35 insertions(+), 1 deletion(-)
 create mode 100644 .github/workflows/build-gcpy-environment.yml

diff --git a/.github/workflows/build-gcpy-environment.yml b/.github/workflows/build-gcpy-environment.yml
new file mode 100644
index 00000000..33bd0063
--- /dev/null
+++ b/.github/workflows/build-gcpy-environment.yml
@@ -0,0 +1,34 @@
+---
+#
+# GitHub action to build the GCPy environment with micromamba
+# See: https://github.com/marketplace/actions/setup-micromamba
+#
+name: build-gcpy-environment
+
+on:
+  push:
+    branches: [ "main", "dev" ]
+  pull_request:
+    # The branches below must be a subset of the branches above
+    branches: [ "main", "dev" ]
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9"]
+    steps:
+      - uses: mamba-org/setup-micromamba@v1
+        with:
+          micromamba-version: 'latest'
+          environment-file: docs/source/environment.yml
+          init-shell: bash
+          cache-environment: true
+          post-cleanup: 'all'
+      - name: Import gcpy in micromamba environment (bash)
+        run: python -c "import numpy"
+        shell: bash -el {0}
+      - name: Run custom command in micromamba environment
+        run: python -m gcpy.examples.plotting.create_test_plot
+        shell: micromamba-shell {0}
diff --git a/CHANGELOG.md b/CHANGELOG.md
index 86335626..7c68b041 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -7,7 +7,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 ## [Unreleased] - TBD
 ### Added
 - Example script `create_test_plot.py`, which can be used to check that GCPy has been installed properly
-
+- GitHub action `build-gcpy-environment` which tests installation of the mamba environment specified in in `docs/source/environment.yml`
 
 ## [1.4.1] - 2023-12-08
 ### Fixed

From 5afddd3a2d9dd3793ab6df7689ed5d272f5b2e67 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Thu, 25 Jan 2024 13:11:55 -0500
Subject: [PATCH 03/10] Add GitHub action to build the GCPy python environment

.github/workflows/build-gcpy-environment.yml
- Add configuration file to trigger a GitHub action on pushes to
  main,dev or PRs to main,dev.

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 .github/workflows/build-gcpy-environment.yml | 17 +++++++++++------
 1 file changed, 11 insertions(+), 6 deletions(-)

diff --git a/.github/workflows/build-gcpy-environment.yml b/.github/workflows/build-gcpy-environment.yml
index 33bd0063..35b8fb19 100644
--- a/.github/workflows/build-gcpy-environment.yml
+++ b/.github/workflows/build-gcpy-environment.yml
@@ -19,16 +19,21 @@ jobs:
       matrix:
         python-version: ["3.9"]
     steps:
-      - uses: mamba-org/setup-micromamba@v1
+      - name: Checkout the GCPy repository
+        uses: actions/checkout@v2
+      - name: Create the GCPy environment
+        uses: mamba-org/setup-micromamba@v1
         with:
           micromamba-version: 'latest'
-          environment-file: docs/source/environment.yml
+          environment-file: environment.yml
+          environment-name: gcpy-test-env
           init-shell: bash
           cache-environment: true
+          generate-run-shell: true
           post-cleanup: 'all'
-      - name: Import gcpy in micromamba environment (bash)
-        run: python -c "import numpy"
-        shell: bash -el {0}
-      - name: Run custom command in micromamba environment
+      - name: Test if "import gcpy" works
+        run: python -c "import gcpy"
+        shell: micromamba-shell {0}
+      - name: Test if we can create a plot
         run: python -m gcpy.examples.plotting.create_test_plot
         shell: micromamba-shell {0}

From 0252fc5b32e6fb8d91eeb9a27087be3893fc7fe7 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Thu, 25 Jan 2024 16:13:36 -0500
Subject: [PATCH 04/10] Prevent overwriting the "results" variable when
 parallelization is off.

This commit fixes the issue reported by @lizziel in #285.  The "results"
variable was being overwritten instead of appended to when plots are
generated sequentially (i.e. with "n_cores: 1" in the YAML input).

gcpy/benchmark/modules/run_1yr_*_fullchem.py
gcpy/benchmark_funcs.py
gcpy/plot/compare_*.py
- For the case when parallelization is off:
    1. Declare "results" as an empty list
    2. Append the output of the routine being called into "results"
  This will prevent a dictionary key error as described in #285.

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 CHANGELOG.md                                   |  3 +++
 .../modules/run_1yr_fullchem_benchmark.py      | 18 ++++++++++++------
 gcpy/benchmark/modules/run_1yr_tt_benchmark.py |  9 ++++++---
 gcpy/benchmark_funcs.py                        | 16 ++++++++++++----
 gcpy/plot/compare_single_level.py              |  3 ++-
 gcpy/plot/compare_zonal_mean.py                |  3 ++-
 6 files changed, 37 insertions(+), 15 deletions(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 7c68b041..53d545e3 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -9,6 +9,9 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 - Example script `create_test_plot.py`, which can be used to check that GCPy has been installed properly
 - GitHub action `build-gcpy-environment` which tests installation of the mamba environment specified in in `docs/source/environment.yml`
 
+### Fixed
+- Prevent overwriting of the `results` variable when parallel plotting is deactivated (`n_cores: 1`)
+
 ## [1.4.1] - 2023-12-08
 ### Fixed
 - Now use the proper default value for the `--weightsdir` argument to `gcpy/file_regrid.py`
diff --git a/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py b/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py
index 7321c50a..3582bfba 100644
--- a/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py
+++ b/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py
@@ -694,8 +694,9 @@ def gcc_vs_gcc_mass_table(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gcc_vs_gcc_mass_table(mon)
+                    results.append(gcc_vs_gcc_mass_table(mon))
 
         # ==================================================================
         # GCC vs GCC operations budgets tables
@@ -741,8 +742,9 @@ def gcc_vs_gcc_ops_budg(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gcc_vs_gcc_ops_budg(mon)
+                    results.append(gcc_vs_gcc_ops_budg(mon))
 
         # ==================================================================
         # GCC vs GCC aerosols budgets/burdens tables
@@ -1255,8 +1257,9 @@ def gchp_vs_gcc_mass_table(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gchp_vs_gcc_mass_table(mon)
+                    results.append(gchp_vs_gcc_mass_table(mon))
 
         # ==================================================================
         # GCHP vs GCC operations budgets tables
@@ -1311,8 +1314,9 @@ def gchp_vs_gcc_ops_budg(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gchp_vs_gcc_ops_budg(mon)
+                    results.append(gchp_vs_gcc_ops_budg(mon))
 
         # ==================================================================
         # GCHP vs GCC aerosol budgets and burdens tables
@@ -1863,8 +1867,9 @@ def gchp_vs_gchp_mass_table(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gchp_vs_gchp_mass_table(mon)
+                    results.append(gchp_vs_gchp_mass_table(mon))
 
         # ==================================================================
         # GCHP vs GCHP operations budgets tables
@@ -1921,8 +1926,9 @@ def gchp_vs_gchp_ops_budg(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gchp_vs_gchp_ops_budg(mon)
+                    results.append(gchp_vs_gchp_ops_budg(mon))
 
         # ==================================================================
         # GCHP vs GCHP aerosol budgets and burdens tables
diff --git a/gcpy/benchmark/modules/run_1yr_tt_benchmark.py b/gcpy/benchmark/modules/run_1yr_tt_benchmark.py
index 878dad76..7d10d149 100644
--- a/gcpy/benchmark/modules/run_1yr_tt_benchmark.py
+++ b/gcpy/benchmark/modules/run_1yr_tt_benchmark.py
@@ -540,8 +540,9 @@ def gcc_vs_gcc_mass_table(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gcc_vs_gcc_mass_table(mon)
+                    results.append(gcc_vs_gcc_mass_table(mon))
 
         # ==================================================================
         # GCC vs GCC operations budgets tables
@@ -837,8 +838,9 @@ def gchp_vs_gcc_mass_table(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gchp_vs_gcc_mass_table(mon)
+                    results.append(gchp_vs_gcc_mass_table(mon))
 
         # ==================================================================
         # GCHP vs GCC operations budgets tables
@@ -1149,8 +1151,9 @@ def gchp_vs_gchp_mass_table(mon):
                     for mon in range(bmk_n_months)
                 )
             else:
+                results = []
                 for mon in range(bmk_n_months):
-                    results = gchp_vs_gchp_mass_table(mon)
+                    results.append(gchp_vs_gchp_mass_table(mon))
 
         # ==================================================================
         # GCHP vs GCHP operations budgets tables
diff --git a/gcpy/benchmark_funcs.py b/gcpy/benchmark_funcs.py
index e6fe88c6..36ea5360 100644
--- a/gcpy/benchmark_funcs.py
+++ b/gcpy/benchmark_funcs.py
@@ -1503,10 +1503,13 @@ def createplots(filecat):
             for _, filecat in enumerate(catdict)
         )
     else:
+        results = []
         for _, filecat in enumerate(catdict):
-            results = createplots(filecat)
+            results.append(createplots(filecat))
     # --------------------------------------------
-
+    print(results)
+    quit()
+    
     dict_sfc = {list(result.keys())[0]: result[list(
         result.keys())[0]]['sfc'] for result in results}
     dict_500 = {list(result.keys())[0]: result[list(
@@ -1514,6 +1517,9 @@ def createplots(filecat):
     dict_zm = {list(result.keys())[0]: result[list(
         result.keys())[0]]['zm'] for result in results}
 
+    print("stop here")
+    quit()
+    
     # ==============================================================
     # Write the list of species having significant differences,
     # which we need to fill out the benchmark approval forms.
@@ -1868,8 +1874,9 @@ def createfile_hco_cat(c):
                 for c in emis_cats
             )
         else:
+            results = []
             for c in emis_cats:
-                results = createfile_hco_cat(c)
+                results.append(createfile_hco_cat(c))
         # ---------------------------------------
 
         dict_emis = {list(result.keys())[0]: result[list(result.keys())[0]]
@@ -1981,8 +1988,9 @@ def createfile_bench_cat(filecat):
                 for _, filecat in enumerate(catdict)
             )
         else:
+            results = []
             for _, filecat in enumerate(catdict):
-                results = createfile_bench_cat(filecat)
+                results.append(createfile_bench_cat(filecat))
         #------------------------------------------------
 
         allcatspc = [spc for result in results for spc in result]
diff --git a/gcpy/plot/compare_single_level.py b/gcpy/plot/compare_single_level.py
index 5a9db5ef..faf82650 100644
--- a/gcpy/plot/compare_single_level.py
+++ b/gcpy/plot/compare_single_level.py
@@ -1152,8 +1152,9 @@ def get_extent_for_colors(dset, minlon, maxlon, minlat, maxlat):
                     for i in range(n_var)
                 )
             else:
+                results = []
                 for i in range(n_var):
-                    results = createfig(i, temp_dir)
+                    results.append(createfig(i, temp_dir))
             # ---------------------------------------
 
             # update sig diffs after parallel calls
diff --git a/gcpy/plot/compare_zonal_mean.py b/gcpy/plot/compare_zonal_mean.py
index 3999bb3e..f7b41577 100644
--- a/gcpy/plot/compare_zonal_mean.py
+++ b/gcpy/plot/compare_zonal_mean.py
@@ -1046,8 +1046,9 @@ def createfig(ivar, temp_dir=''):
                     for i in range(n_var)
                 )
             else:
+                results = []
                 for i in range(n_var):
-                    results = createfig(i, temp_dir)
+                    results.append(createfig(i, temp_dir))
             # ---------------------------------------
 
             # update sig diffs after parallel calls

From 7a2c321a87f261f80e5b4fa0fada956734a8a483 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Thu, 25 Jan 2024 16:18:06 -0500
Subject: [PATCH 05/10] Remove leftover debug output

gcpy/benchmark_funcs.py
- Removed a leftover print statement and quit() statement
  from debugging

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 gcpy/benchmark_funcs.py | 2 --
 1 file changed, 2 deletions(-)

diff --git a/gcpy/benchmark_funcs.py b/gcpy/benchmark_funcs.py
index 36ea5360..18f7ffd3 100644
--- a/gcpy/benchmark_funcs.py
+++ b/gcpy/benchmark_funcs.py
@@ -1507,8 +1507,6 @@ def createplots(filecat):
         for _, filecat in enumerate(catdict):
             results.append(createplots(filecat))
     # --------------------------------------------
-    print(results)
-    quit()
     
     dict_sfc = {list(result.keys())[0]: result[list(
         result.keys())[0]]['sfc'] for result in results}

From 1e4a090415954407dfa904c93bac7799e00f6c16 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Thu, 25 Jan 2024 16:39:26 -0500
Subject: [PATCH 06/10] Update environment.yml file to use pegged versions

docs/environment_files/environment.yml
- Now use pegged package versions, as described in issue #284

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 docs/environment_files/environment.yml | 89 ++++++++++++--------------
 1 file changed, 40 insertions(+), 49 deletions(-)

diff --git a/docs/environment_files/environment.yml b/docs/environment_files/environment.yml
index f5fc704d..994d13e9 100644
--- a/docs/environment_files/environment.yml
+++ b/docs/environment_files/environment.yml
@@ -1,59 +1,50 @@
+---
 # ======================================================================
 # GCPy environment file
 #
 # Recommended installation: with Mambaforge
 # $ mamba env create -n gcpy_env --file=/path/to/gcpy/environment.yml
 #
-# Some package versions are not the most recent, but these
-# have been proven to work together. (Bob Yantosca, 14 Aug 2023)
+# These package versions have been proven to work together.
+# See: https://github.com/geoschem/gcpy/issues/284
 # ======================================================================
 name: gcpy_env
 channels:
-    - conda-forge
-    - nodefaults    
+  - conda-forge
+  - nodefaults
 dependencies:
-    - awscli                          # Utilities for AWS cloud
-    - cartopy                         # Geospatial data processing
-    - cf_xarray                       # CF conventions for xarray
-    - dask                            # Parallel library; backend for xarray
-    - gridspec                        # Define Earth System Model grids
-    - ipython                         # Interactive Python (used by Jupyter)
-    - joblib                          # Parallelize python code
-    - jupyter                         # Jupyter Notebook
-    - matplotlib                      # Creates plots and visualizations
-    - netcdf4                         # Python wrapper for netCDF
-    - netcdf-fortran                  # Python wrapper for netCDF-Fortran
-    - numpy                           # Optimized mathematical functions
-    - pandas                          # Tables/timeseries manipulation
-    - pip                             # Install packages from PyPi
-    - pylint                          # Python linter
-    - pyproj                          # Python map projections library
-    - python<3.10                     # Any python version prior to 3.10
-    - pypdf                           # PDF utilities (bookmarks, etc.)
-    - recommonmark                    # Dependency for Sphinx
-    - requests                        # HTTP library
-    - scipy                           # Scientific python package
-    - sparselt>=0.1.3                 # Regridding earth system model data
-    - tabulate                        # Pretty-printing for column data
-    - tk                              # Tcl/tk library
-    - xarray                          # Read data from netCDF etc files
-    #
-    # NOTE: These packages need to be pegged at specific versions
-    # in order to avoid an ImportError.
-    #  -- Bob Yantosca (14 Aug 2023)
-    #
-    - esmf==8.1.1                     # Earth system modeling framework
-    - esmpy==8.1.1                    # Python wrapper for ESMF
-    - xesmf==0.5.1                    # Universal regridder
-    # 
-    # NOTE: These packages need to be pegged at specific versions
-    # or else the ReadTheDocs output won't render properly.
-    #  -- Bob Yantosca (14 Aug 2023)
-    #
-    - docutils==0.16                  # Convert text to other formats
-    - jinja2==3.0.3                   # Dependency for Sphinx
-    - sphinx==3.5.4                   # Generate ReadTheDocs output
-    - sphinx-autoapi==1.9.0           # Sphinx autodoc style documentation
-    - sphinx-autobuild==2021.3.14     # Build ReadTheDos live in browser
-    - sphinxcontrib-bibtex==2.2.0     # ReadTheDocs bibliography style
-    - sphinx_rtd_theme==0.5.2         # ReadTheDocs HTML theme files
+  - awscli==2.13.39                 # Utilities for AWS cloud
+  - cartopy==0.22.0                 # Geospatial data processing
+  - cf_xarray==0.8.4                # CF conventions for xarray
+  - dask==2023.9.2                  # Parallel library; backend for xarray
+  - gridspec==0.1.0                 # Define Earth System Model grids
+  - ipython==8.15.0                 # Interactive Python (used by Jupyter)
+  - joblib==1.3.2                   # Parallelize python code
+  - jupyter==1.0.0                  # Jupyter Notebook
+  - matplotlib==3.8.0               # Creates plots and visualizations
+  - netcdf4==1.6.0                  # Python wrapper for netCDF
+  - netcdf-fortran==4.5.4           # Python wrapper for netCDF-Fortran
+  - numpy==1.26.0                   # Optimized mathematical functions
+  - pandas==2.1.1                   # Tables/timeseries manipulation
+  - pip==23.2.1                     # Install packages from PyPi
+  - pylint==2.17.5                  # Python linter
+  - pyproj==3.6.1                   # Python map projections library
+  - python==3.9.18                  # Any python version prior to 3.10
+  - pypdf==3.16.1                   # PDF utilities (bookmarks, etc.)
+  - recommonmark==0.7.1             # Dependency for Sphinx
+  - requests==2.31.0                # HTTP library
+  - scipy==1.11.2                   # Scientific python package
+  - sparselt==0.1.3                 # Regridding earth system model data
+  - tabulate==0.9.0                 # Pretty-printing for column data
+  - tk==8.6.12                      # Tcl/tk library
+  - xarray==2023.8.0                # Read data from netCDF etc files
+  - esmf==8.1.1                     # Earth system modeling framework
+  - esmpy==8.1.1                    # Python wrapper for ESMF
+  - xesmf==0.5.1                    # Universal regridder
+  - docutils==0.16                  # Convert text to other formats
+  - jinja2==3.0.3                   # Dependency for Sphinx
+  - sphinx==3.5.4                   # Generate ReadTheDocs output
+  - sphinx-autoapi==1.9.0           # Sphinx autodoc style documentation
+  - sphinx-autobuild==2021.3.14     # Build ReadTheDos live in browser
+  - sphinxcontrib-bibtex==2.2.0     # ReadTheDocs bibliography style
+  - sphinx_rtd_theme==0.5.2         # ReadTheDocs HTML theme files

From 1a6723644df011d6fe4d59bb78e18facbb17e621 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Thu, 25 Jan 2024 17:06:16 -0500
Subject: [PATCH 07/10] Add test environment file; Add new GitHub action

docs/environment_files/testing.yml
- Add this new environment file, based on the environment.yml file,
  but without pegged version numbers for most packages.

.github/workflows/build-test-environment.yml
- YAML config file to start a new GitHub action to build the mamba
  environment from "testing.yml"

.github/workflows/build-gcpy-environment.yml
- Updated names and comments
- Now read docs/environment_files/environment.yml

CHANGEKOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 .github/workflows/build-gcpy-environment.yml |  7 ++-
 .github/workflows/build-test-environment.yml | 38 +++++++++++++++
 CHANGELOG.md                                 |  4 +-
 docs/environment_files/testing.yml           | 49 ++++++++++++++++++++
 4 files changed, 93 insertions(+), 5 deletions(-)
 create mode 100644 .github/workflows/build-test-environment.yml
 create mode 100644 docs/environment_files/testing.yml

diff --git a/.github/workflows/build-gcpy-environment.yml b/.github/workflows/build-gcpy-environment.yml
index 35b8fb19..96e7a161 100644
--- a/.github/workflows/build-gcpy-environment.yml
+++ b/.github/workflows/build-gcpy-environment.yml
@@ -1,6 +1,6 @@
 ---
 #
-# GitHub action to build the GCPy environment with micromamba
+# GitHub action to build the GCPy production environment with micromamba
 # See: https://github.com/marketplace/actions/setup-micromamba
 #
 name: build-gcpy-environment
@@ -21,12 +21,11 @@ jobs:
     steps:
       - name: Checkout the GCPy repository
         uses: actions/checkout@v2
-      - name: Create the GCPy environment
+      - name: Create "gcpy_env" environment
         uses: mamba-org/setup-micromamba@v1
         with:
           micromamba-version: 'latest'
-          environment-file: environment.yml
-          environment-name: gcpy-test-env
+          environment-file: docs/environment_files/environment.yml
           init-shell: bash
           cache-environment: true
           generate-run-shell: true
diff --git a/.github/workflows/build-test-environment.yml b/.github/workflows/build-test-environment.yml
new file mode 100644
index 00000000..42fdb1c4
--- /dev/null
+++ b/.github/workflows/build-test-environment.yml
@@ -0,0 +1,38 @@
+---
+#
+# GitHub action to build the GCPy test environment with micromamba
+# See: https://github.com/marketplace/actions/setup-micromamba
+#
+name: build-test-environment
+
+on:
+  push:
+    branches: [ "main", "dev" ]
+  pull_request:
+    # The branches below must be a subset of the branches above
+    branches: [ "main", "dev" ]
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9"]
+    steps:
+      - name: Checkout the GCPy repository
+        uses: actions/checkout@v2
+      - name: Create "testing" environment
+        uses: mamba-org/setup-micromamba@v1
+        with:
+          micromamba-version: 'latest'
+          environment-file: docs/environment_files/testing.yml
+          init-shell: bash
+          cache-environment: true
+          generate-run-shell: true
+          post-cleanup: 'all'
+      - name: Test if "import gcpy" works
+        run: python -c "import gcpy"
+        shell: micromamba-shell {0}
+      - name: Test if we can create a plot
+        run: python -m gcpy.examples.plotting.create_test_plot
+        shell: micromamba-shell {0}
diff --git a/CHANGELOG.md b/CHANGELOG.md
index 7c68b041..23b4c04a 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -7,7 +7,9 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 ## [Unreleased] - TBD
 ### Added
 - Example script `create_test_plot.py`, which can be used to check that GCPy has been installed properly
-- GitHub action `build-gcpy-environment` which tests installation of the mamba environment specified in in `docs/source/environment.yml`
+- GitHub action `build-gcpy-environment` which tests installation of the mamba environment specified in in `docs/environment_files/environment.yml`
+- YAML file`docs/environment_files/testing.yml` for building an environment without pegged package versions (for testing)
+- GitHub action `build-test-environment` to test the environment specified in `testing.yml`
 
 ## [1.4.1] - 2023-12-08
 ### Fixed
diff --git a/docs/environment_files/testing.yml b/docs/environment_files/testing.yml
new file mode 100644
index 00000000..85a15fac
--- /dev/null
+++ b/docs/environment_files/testing.yml
@@ -0,0 +1,49 @@
+---
+# ======================================================================
+# GCPy testing environment file.
+# Intended to be used by the GCST for testing purposes.
+#
+# GCPy users should build the environmet from "environment.yml",
+# as this will specify package versions that are known to work.
+# See: https://github.com/geoschem/gcpy/issues/284
+# ======================================================================
+name: testing
+channels:
+  - conda-forge
+  - nodefaults
+dependencies:
+  - awscli                          # Utilities for AWS cloud
+  - cartopy                         # Geospatial data processing
+  - cf_xarray                       # CF conventions for xarray
+  - dask                            # Parallel library; backend for xarray
+  - gridspec                        # Define Earth System Model grids
+  - ipython                         # Interactive Python (used by Jupyter)
+  - joblib                          # Parallelize python code
+  - jupyter                         # Jupyter Notebook
+  - matplotlib                      # Creates plots and visualizations
+  - netcdf4                         # Python wrapper for netCDF
+  - netcdf-fortran                  # Python wrapper for netCDF-Fortran
+  - numpy                           # Optimized mathematical functions
+  - pandas                          # Tables/timeseries manipulation
+  - pip                             # Install packages from PyPi
+  - pylint                          # Python linter
+  - pyproj                          # Python map projections library
+  - python                          # Any python version prior to 3.10
+  - pypdf                           # PDF utilities (bookmarks, etc.)
+  - recommonmark                    # Dependency for Sphinx
+  - requests                        # HTTP library
+  - scipy                           # Scientific python package
+  - sparselt                        # Regridding earth system model data
+  - tabulate                        # Pretty-printing for column data
+  - tk                              # Tcl/tk library
+  - xarray                          # Read data from netCDF etc files
+  - esmf==8.1.1                     # Earth system modeling framework
+  - esmpy==8.1.1                    # Python wrapper for ESMF
+  - xesmf==0.5.1                    # Universal regridder
+  - docutils                        # Convert text to other formats
+  - jinja2                          # Dependency for Sphinx
+  - sphinx                          # Generate ReadTheDocs output
+  - sphinx-autoapi                  # Sphinx autodoc style documentation
+  - sphinx-autobuild                # Build ReadTheDos live in browser
+  - sphinxcontrib-bibtex            # ReadTheDocs bibliography style
+  - sphinx_rtd_theme                # ReadTheDocs HTML theme files

From 8595565e6afd73c2468e006b232e33f80eff745d Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Fri, 26 Jan 2024 10:16:49 -0500
Subject: [PATCH 08/10] build-gcpy-environment now tests env build w/ several
 Python versions

.github/workflows/build-gcpy-environment
- Now attempt to build the environment with Python versions
  3.8 thru 3.13.

CHANGELOG.md
- Updated currently

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 .github/workflows/build-gcpy-environment.yml | 2 +-
 CHANGELOG.md                                 | 6 +++++-
 2 files changed, 6 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/build-gcpy-environment.yml b/.github/workflows/build-gcpy-environment.yml
index 96e7a161..765a18a7 100644
--- a/.github/workflows/build-gcpy-environment.yml
+++ b/.github/workflows/build-gcpy-environment.yml
@@ -17,7 +17,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ["3.9"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12", "3.13"]
     steps:
       - name: Checkout the GCPy repository
         uses: actions/checkout@v2
diff --git a/CHANGELOG.md b/CHANGELOG.md
index 23b4c04a..ad30b2e0 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -11,6 +11,10 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 - YAML file`docs/environment_files/testing.yml` for building an environment without pegged package versions (for testing)
 - GitHub action `build-test-environment` to test the environment specified in `testing.yml`
 
+### Changed
+- `build-gcpy-environment`
+
+
 ## [1.4.1] - 2023-12-08
 ### Fixed
 - Now use the proper default value for the `--weightsdir` argument to `gcpy/file_regrid.py`
@@ -164,7 +168,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
   - Now use restarts_subdir tag from YAML file for paths to restart files (@yantosca)
   - GCPy now uses proper year for dev in 1-yr benchmarks (@laestrada)
   - Fixed date string issue in benchmarking scripts (@lizziel)
-  - Updates for new GCHP restart file format (@lizziel)  
+  - Updates for new GCHP restart file format (@lizziel)
 - Updated environment.yml with package versions that work together (@yantosca)
 - Updated the AUTHORS.txt and LICENSE.txt files (@yantosca)
 

From 43c783a549ede5a3619ac2ef9e454f25857b33b0 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Fri, 26 Jan 2024 10:41:32 -0500
Subject: [PATCH 09/10] Fix typo in testing.yml; peg versions for RTD packages

docs/environment_files/testing.yml
- Fixed typo: "environmet" -> "environment" in comments
- Now peg the RTD package versions, as we know these work.
- Also peg matplotlib>=3.8

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 docs/environment_files/testing.yml | 21 ++++++++++++---------
 1 file changed, 12 insertions(+), 9 deletions(-)

diff --git a/docs/environment_files/testing.yml b/docs/environment_files/testing.yml
index 85a15fac..3c6c9de0 100644
--- a/docs/environment_files/testing.yml
+++ b/docs/environment_files/testing.yml
@@ -3,7 +3,7 @@
 # GCPy testing environment file.
 # Intended to be used by the GCST for testing purposes.
 #
-# GCPy users should build the environmet from "environment.yml",
+# GCPy users should build the environment from "environment.yml",
 # as this will specify package versions that are known to work.
 # See: https://github.com/geoschem/gcpy/issues/284
 # ======================================================================
@@ -20,7 +20,7 @@ dependencies:
   - ipython                         # Interactive Python (used by Jupyter)
   - joblib                          # Parallelize python code
   - jupyter                         # Jupyter Notebook
-  - matplotlib                      # Creates plots and visualizations
+  - matplotlib>=3.8                 # Creates plots and visualizations
   - netcdf4                         # Python wrapper for netCDF
   - netcdf-fortran                  # Python wrapper for netCDF-Fortran
   - numpy                           # Optimized mathematical functions
@@ -37,13 +37,16 @@ dependencies:
   - tabulate                        # Pretty-printing for column data
   - tk                              # Tcl/tk library
   - xarray                          # Read data from netCDF etc files
+  #
+  # NOTE: These packages are known to work, so peg these versions
+  #
   - esmf==8.1.1                     # Earth system modeling framework
   - esmpy==8.1.1                    # Python wrapper for ESMF
   - xesmf==0.5.1                    # Universal regridder
-  - docutils                        # Convert text to other formats
-  - jinja2                          # Dependency for Sphinx
-  - sphinx                          # Generate ReadTheDocs output
-  - sphinx-autoapi                  # Sphinx autodoc style documentation
-  - sphinx-autobuild                # Build ReadTheDos live in browser
-  - sphinxcontrib-bibtex            # ReadTheDocs bibliography style
-  - sphinx_rtd_theme                # ReadTheDocs HTML theme files
+  - docutils==0.16                  # Convert text to other formats
+  - jinja2==3.0.3                   # Dependency for Sphinx
+  - sphinx==3.5.4                   # Generate ReadTheDocs output
+  - sphinx-autoapi==1.9.0           # Sphinx autodoc style documentation
+  - sphinx-autobuild==2021.3.14     # Build ReadTheDos live in browser
+  - sphinxcontrib-bibtex==2.2.0     # ReadTheDocs bibliography style
+  - sphinx_rtd_theme==0.5.2         # ReadTheDocs HTML theme files

From 70d649a12b81735521005d48dee1adfbf360da37 Mon Sep 17 00:00:00 2001
From: Bob Yantosca <yantosca@seas.harvard.edu>
Date: Fri, 26 Jan 2024 11:20:43 -0500
Subject: [PATCH 10/10] Update version numbers and prepare for GCPy 1.4.2
 release

CHANGELOG.md
docs/source/conf.py
gcpy/_version.py
gcpy/benchmark/run_benchmark.py
gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py
gcpy/benchmark/modules/run_1yr_tt_benchmark.py
CHANGELOG.md
- Updated version numbers

setup.py
- Restored, now use same version numbers as in environment.yml

Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
---
 CHANGELOG.md                                  |   5 +-
 docs/source/Release_guide.rst                 |   6 +-
 docs/source/conf.py                           |   2 +-
 gcpy/_version.py                              |   2 +-
 .../modules/run_1yr_fullchem_benchmark.py     |   2 +-
 .../benchmark/modules/run_1yr_tt_benchmark.py |   2 +-
 gcpy/benchmark/run_benchmark.py               |   2 +-
 setup.py                                      | 144 ++++++++++++++++++
 8 files changed, 154 insertions(+), 11 deletions(-)
 create mode 100644 setup.py

diff --git a/CHANGELOG.md b/CHANGELOG.md
index b9c797db..1cab4aa4 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -4,7 +4,7 @@ All notable changes to GCPy will be documented in this file.
 
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
-## [Unreleased] - TBD
+## [1.4.2] - 2024-01-26
 ### Added
 - Example script `create_test_plot.py`, which can be used to check that GCPy has been installed properly
 - GitHub action `build-gcpy-environment` which tests installation of the mamba environment specified in in `docs/environment_files/environment.yml`
@@ -12,8 +12,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 - GitHub action `build-test-environment` to test the environment specified in `testing.yml`
 
 ### Changed
-- `build-gcpy-environment`
-
+- `build-gcpy-environment` GitHub action now runs with several Python versions 
 
 ### Fixed
 - Prevent overwriting of the `results` variable when parallel plotting is deactivated (`n_cores: 1`)
diff --git a/docs/source/Release_guide.rst b/docs/source/Release_guide.rst
index 129861fe..6b12a762 100644
--- a/docs/source/Release_guide.rst
+++ b/docs/source/Release_guide.rst
@@ -17,9 +17,9 @@ versions of GCPy on Github, PyPi, and conda-forge.
    - :file:`setup.py`
    - :file:`gcpy/_version.py`
    - :file:`docs/source/conf.py`
-   - :file:`benchmark/run_benchmark.py`
-   - :file:`benchmark/modules/run_1yr_fullchem_benchmark.py`
-   - :file:`benchmark/modules/run_1yr_tt_benchmark.py`
+   - :file:`gcpy/benchmark/run_benchmark.py`
+   - :file:`gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py`
+   - :file:`gcpy/benchmark/modules/run_1yr_tt_benchmark.py`
      |br|
 
 #. Update :file:`CHANGELOG.md` |br|
diff --git a/docs/source/conf.py b/docs/source/conf.py
index f01ae723..62776896 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -22,7 +22,7 @@
 author = 'GEOS-Chem Support Team'
 
 # The full version, including alpha/beta/rc tags
-release = '1.4.1'
+release = '1.4.2'
 
 # -- General configuration ---------------------------------------------------
 
diff --git a/gcpy/_version.py b/gcpy/_version.py
index 8bad8dce..b58b8b9c 100644
--- a/gcpy/_version.py
+++ b/gcpy/_version.py
@@ -1,2 +1,2 @@
+__version__ = '1.4.2'
 
-__version__ = '1.4.1'
diff --git a/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py b/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py
index 3582bfba..ecb2491f 100644
--- a/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py
+++ b/gcpy/benchmark/modules/run_1yr_fullchem_benchmark.py
@@ -43,7 +43,7 @@
 
         https://github.com/ipython/ipython/issues/10627
 
-This script corresponds with GCPy 1.4.0. Edit this version ID if releasing
+This script corresponds with GCPy 1.4.2. Edit this version ID if releasing
 a new version of GCPy.
 """
 
diff --git a/gcpy/benchmark/modules/run_1yr_tt_benchmark.py b/gcpy/benchmark/modules/run_1yr_tt_benchmark.py
index 7d10d149..5864bcda 100644
--- a/gcpy/benchmark/modules/run_1yr_tt_benchmark.py
+++ b/gcpy/benchmark/modules/run_1yr_tt_benchmark.py
@@ -42,7 +42,7 @@
 
         https://github.com/ipython/ipython/issues/10627
 
-This script corresponds with GCPy 1.4.0. Edit this version ID if releasing
+This script corresponds with GCPy 1.4.2. Edit this version ID if releasing
 a new version of GCPy.
 """
 
diff --git a/gcpy/benchmark/run_benchmark.py b/gcpy/benchmark/run_benchmark.py
index 42d36418..0b5db597 100755
--- a/gcpy/benchmark/run_benchmark.py
+++ b/gcpy/benchmark/run_benchmark.py
@@ -31,7 +31,7 @@
 
         https://github.com/ipython/ipython/issues/10627
 
-This script corresponds with GCPy 1.4.0. Edit this version ID if releasing
+This script corresponds with GCPy 1.4.2. Edit this version ID if releasing
 a new version of GCPy.
 """
 
diff --git a/setup.py b/setup.py
new file mode 100644
index 00000000..2fae9011
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,144 @@
+#!/usr/bin/env python
+
+import os
+import warnings
+
+from setuptools import setup, find_packages
+
+from textwrap import dedent
+
+DESCRIPTION = ""
+LONG_DESCRIPTION = """\
+Python toolkit for working with GEOS-Chem output.
+"""
+
+DISTNAME = "geoschem-gcpy"
+AUTHOR = "GEOS-Chem Support Team"
+AUTHOR_EMAIL = "geos-chem-support@g.harvard.edu"
+URL = "https://github.com/geoschem/gcpy"
+LICENSE = "MIT"
+
+CLASSIFIERS = [
+    'Development Status :: 5 - Production/Stable',
+    'License :: OSI Approved :: MIT License',
+    'Operating System :: OS Independent',
+    'Intended Audience :: Science/Research',
+    'Programming Language :: Python',
+    'Programming Language :: Python :: 3.9',
+    'Topic :: Scientific/Engineering',
+]
+
+MAJOR = 1
+MINOR = 4
+MICRO = 2
+EXTRA = '' # for alpha (aN), beta (bN), rc (rcN) versions
+
+VERSION = f"{MAJOR}.{MINOR}.{MICRO}{EXTRA}"
+'''
+#DEV format (using git hash) is intriguing but incompatible with PEP 440
+#No hashes can be used in version field
+DEV = True
+
+
+# Correct versioning with git info if DEV
+
+if DEV:
+    import subprocess
+
+    pipe = subprocess.Popen(
+        ['git', "describe", "--always", "--match", "v[0-9]*"],
+        stdout=subprocess.PIPE)
+    so, err = pipe.communicate()
+
+    if pipe.returncode != 0:
+        # no git or something wrong with git (not in dir?)
+        warnings.warn("WARNING: Couldn't identify git revision, using generic version string")
+        VERSION += ".dev"
+    else:
+        git_rev = so.strip()
+        git_rev = git_rev.decode('ascii') # necessary for Python >= 3
+
+        VERSION += ".dev-{}".format(git_rev)
+'''
+
+def _write_version_file():
+
+    fn = os.path.join(os.path.dirname(__file__), 'gcpy', '_version.py')
+
+    version_str = dedent("""
+        __version__ = '{}'
+        """)
+
+    # Write version file
+    with open(fn, 'w') as version_file:
+        version_file.write(version_str.format(VERSION))
+
+# Write version and install
+_write_version_file()
+
+setup(
+    name = DISTNAME,
+    author = AUTHOR,
+    author_email = AUTHOR_EMAIL,
+    maintainer = AUTHOR,
+    maintainer_email = AUTHOR_EMAIL,
+    description = DESCRIPTION,
+    long_description = LONG_DESCRIPTION,
+    license = LICENSE,
+    url = URL,
+    version = VERSION,
+    packages = find_packages(),
+    include_package_data=True,
+    install_requires=[
+        "awscli==2.13.39",
+        "cartopy==0.22.0",
+        "cf_xarray==0.8.4",
+        "dask==2023.9.2",
+        "gridspec==0.1.0",
+        "ipython==8.15.0",
+        "joblib==1.3.2",
+        "jupyter==1.0.0",
+        "matplotlib==3.8.0",
+        "netcdf4==1.6.0",
+        "netcdf-fortran==4.5.4",
+        "numpy==1.26.0",
+        "pandas==2.1.1",
+        "pip==23.2.1",
+        "pylint==2.17.5",
+        "pyproj==3.6.1",
+        "python==3.9.18",
+        "pypdf==3.16.1",
+        "recommonmark==0.7.1",
+        "requests==2.31.0",
+        "scipy==1.11.2",
+        "sparselt==0.1.3",
+        "tabulate==0.9.0",
+        "tk==8.6.12",
+        "xarray==2023.8.0",
+        "esmf==8.1.1",
+        "esmpy==8.1.1",
+        "xesmf==0.5.1",
+        "docutils==0.16",
+        "jinja2==3.0.3",
+        "sphinx==3.5.4",
+        "sphinx-autoapi==1.9.0",
+        "sphinx-autobuild==2021.3.14",
+        "sphinxcontrib-bibtex==2.2.0",
+        "sphinx_rtd_theme==0.5.2",
+    ],
+    classifiers = CLASSIFIERS
+)
+
+
+'''
+Instructions for publishing new version to TestPyPi (mimics PyPi) and PyPi:
+
+1. Update version numbers above and in _version.py and commit before releasing
+2. Install twine if not available (pip install twine)
+3. run python setup.py sdist bdist_wheel
+4. run twine check dist/*
+5. run twine upload --repository-url https://test.pypi.org/legacy/ dist/*
+6. Test installation in a virtual environment using pip install --extra-index-url https://test.pypi.org/simple/ geoschem-gcpy
+7. To publish to PyPi, run twine upload dist/*
+
+'''