Pythonpackage

README.md

@@ -56,7 +56,7 @@ By default, it's under `GreenAlgorithms4HPC/outputs/`, but this can be changed.
 ## Full list of options
 
 ```
-usage: __init__.py [-h] [-S STARTDAY] [-E ENDDAY] [-o OUTPUT] [--outputDir OUTPUTDIR] [--filterCWD] [--filterJobIDs FILTERJOBIDS] [--filterAccount FILTERACCOUNT] [--customSuccessStates CUSTOMSUCCESSSTATES]
+usage: myCarbonFootprint [-h] [-S STARTDAY] [-E ENDDAY] [-o OUTPUT] [--outputDir OUTPUTDIR] [--filterCWD] [--filterJobIDs FILTERJOBIDS] [--filterAccount FILTERACCOUNT] [--customSuccessStates CUSTOMSUCCESSSTATES]
                    [--reportBug | --reportBugHere] [--useCustomLogs USECUSTOMLOGS]
 
 Calculate your carbon footprint on the server.
@@ -105,12 +105,12 @@ optional arguments:
 2. Edit `myCarbonFootprint.sh` line 20 to create the virtual environment with Python 3.8 or later. 
 The default line is:
     ```bash
-    /usr/bin/python3.8 -m venv GA_env
+    /usr/bin/python3.8 -m venv .venv
     ```
     But it may be something else on your server, for example:
     ```bash
     module load python/3.11.7
-    python -m venv GA_env
+    python -m venv .venv
     ```
 
 3. Make the bash script executable: 

__init__.py → greenalgorithms4HPC/__init__.py

@@ -3,9 +3,10 @@
 import datetime
 import os
 
-from backend import main_backend
-from frontend import main_frontend
+from greenalgorithms4HPC.backend import main_backend
+from greenalgorithms4HPC.frontend import main_frontend
 
+SYSTEM_CONF="/etc/GreenAlgorithms4HPC.conf"
 def create_arguments():
     """
     Command line arguments for the tool.
@@ -108,17 +109,21 @@ def all(self, args):
         self._validate_dates(args)
         self._validate_output(args)
 
-if __name__ == "__main__":
+def main():
     # print("Working dir0: ", os.getcwd()) # DEBUGONLY
-
     args = create_arguments()
 
     ## Decide which infrastructure info to use
-    if args.useOtherInfrastuctureInfo != '':
-        args.path_infrastucture_info = args.useOtherInfrastuctureInfo
-        print(f"Overriding infrastructure info with: {args.path_infrastucture_info}")
-    else:
-        args.path_infrastucture_info = 'data'
+    # Load cluster specific info
+    cluster_config = os.environ.get("GA4HPC_CONFDIR", None)
+
+    if not cluster_config:
+        if os.path.exists(SYSTEM_CONF):
+            cluster_config = SYSTEM_CONF
+        else:
+            cluster_config = os.path.join(os.path.dirname(__file__), 'data')
+
+    args.path_infrastucture_info = cluster_config
 
     ## Organise the unique output directory (used for output report and logs export for debugging)
     ## creating a uniquely named subdirectory in whatever
@@ -149,5 +154,5 @@ def all(self, args):
 
     ### Run backend to get data
     extracted_data = main_backend(args)
+    main_frontend(extracted_data, args)
 
-    main_frontend(extracted_data, args)

backend/__init__.py → greenalgorithms4HPC/backend/__init__.py

@@ -4,8 +4,8 @@
 import pandas as pd
 import numpy as np
 
-from backend.helpers import check_empty_results, simulate_mock_jobs
-from backend.slurm_extract import WorkloadManager
+from greenalgorithms4HPC.backend.helpers import check_empty_results, simulate_mock_jobs
+from greenalgorithms4HPC.backend.slurm_extract import WorkloadManager
 
 # print("Working dir1: ", os.getcwd()) # DEBUGONLY
 
@@ -220,7 +220,7 @@ def main_backend(args):
             print(exc)
 
     ### Load fixed parameters
-    with open("data/fixed_parameters.yaml", "r") as stream:
+    with open(os.path.join(args.path_infrastucture_info,"fixed_parameters.yaml"), "r") as stream:
         try:
             fParams = yaml.safe_load(stream)
         except yaml.YAMLError as exc:

frontend/__init__.py → greenalgorithms4HPC/frontend/__init__.py

@@ -2,8 +2,8 @@
 import yaml
 import os
 
-from frontend.terminal_output import generate_terminal_view
-from frontend.dashboard_output import dashboard_html
+from greenalgorithms4HPC.frontend.terminal_output import generate_terminal_view
+from greenalgorithms4HPC.frontend.dashboard_output import dashboard_html
 
 def main_frontend(dict_stats, args):
     ### Load cluster specific info

frontend/dashboard_output.py → greenalgorithms4HPC/frontend/dashboard_output.py

@@ -8,7 +8,7 @@
 import numpy as np
 import plotly.express as px
 
-from frontend.helpers import formatText_footprint, formatText_treemonths, formatText_flying
+from greenalgorithms4HPC.frontend.helpers import formatText_footprint, formatText_treemonths, formatText_flying
 
 # class SilentUndefined(Undefined): # DEBUGONLY
 #     def _fail_with_undefined_error(self, *args, **kwargs):

frontend/terminal_output.py → greenalgorithms4HPC/frontend/terminal_output.py

@@ -1,6 +1,6 @@
 
 import math
-from frontend.helpers import formatText_footprint, formatText_treemonths, formatText_flying
+from greenalgorithms4HPC.frontend.helpers import formatText_footprint, formatText_treemonths, formatText_flying
 import pandas as pd
 import os
 

myCarbonFootprint.sh

@@ -11,16 +11,16 @@ userCWD="$(pwd)"
 # Cd into the directory where the GA files are located
 parent_path=$( cd "$(dirname "${BASH_SOURCE[0]}")" ; pwd -P )
 cd "$parent_path"
-
+export GA4HPC_CONFDIR=$parent_path/greenalgorithms4HPC/data
 # Test if the virtualenv GA_env already exists, and if not, creates it. Download python 3.8 or higher for better results.
-if [ ! -f GA_env/bin/activate ]; then
+if [ ! -f .venv/bin/activate ]; then
   echo "Need to create virtualenv"
-  /usr/bin/python3.8 -m venv GA_env # this line needs updating to load python on your server
-  source GA_env/bin/activate
-  pip3 install -r requirements.txt
+  /usr/bin/python3.8 -m venv .venv # this line needs updating to load python on your server
+  source .venv/bin/activate
+  pip3 install .
 else
   echo "Virtualenv: OK"
-  source GA_env/bin/activate
+  source .venv/bin/activate
 fi
 
 # Test if the python version is at least 3.8
@@ -40,4 +40,4 @@ echo "Python versions: OK"
 
 # Run the python code and pass on the arguments
 #userCWD="/home/ll582/ with space" # DEBUGONLY
-python __init__.py "$@" --userCWD "$userCWD"
+myCarbonFootprint "$@" --userCWD "$userCWD"

pyproject.toml

@@ -0,0 +1,24 @@
+[build-system]
+requires = ["setuptools"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "greenalgorithms4HPC"
+version = "0.4"
+dependencies = [
+  "numpy","pandas>=2.0", "PyYAML", "jinja2", "plotly"
+]
+requires-python = ">=3.6"
+authors = [
+  {name = " Loïc Lannelongue", email = "[email protected]"},
+]
+maintainers = [
+  {name = " Loïc Lannelongue", email = "[email protected]"},
+]
+description = "Green Algorithms for High Performance Computing"
+
+[project.scripts]
+myCarbonFootprint = "greenalgorithms4HPC:main"
+
+[tool.setuptools.package-data]
+"*" = ["*.yaml"]