Multiple improvements (#8)

- Implement accurate and fast rotational broadening based on the method of Carvalho & Johns-Krull (2023)
- Fix a bug that caused the code to continue running when specifying a rotational broadening method that is not in the list of available methods!
- Implement better output of the time spent running
- Automatically create ouput directory if it does not exist
- Make a copy of the config file in the output directory (to go back to original parameters of a ForMoSA run)
- Fix import to allow importation of plotting module outside of the ForMoSA package context
- Update .gitignore file with more general patterns for a python package
- Remove files that should not have been committed

.gitignore

@@ -3,4 +3,97 @@
 .ipynb_checkponts
 */__pycache__
 *.pyc
-.DS_Store
+.DS_Store
+
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+env/
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*,cover
+.hypothesis/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# pyenv
+.python-version
+
+# celery beat schedule file
+celerybeat-schedule
+
+# dotenv
+.env
+
+# virtualenv
+.venv/
+venv/
+ENV/
+
+# Spyder project settings
+.spyderproject
+
+# Rope project settings
+.ropeproject
+*_flymake.py

ForMoSA/main.py

@@ -11,6 +11,7 @@
 import os
 # os.environ["OMP_NUM_THREADS"] = "1"
 import sys
+import shutil
 
 # Import ForMoSA
 #base_path = '/Users/ppalmabifani/Desktop/exoAtm/c0_ForMoSA/ForMoSA/'     # Give the path to ForMoSA to be able to import it. No need when this will be a pip package
@@ -37,13 +38,21 @@
     ## CONFIG_FILE reading and defining global parameters
     global_params = GlobFile(config_file_path)                          # To access any param.: global_params.parameter_name
 
+    # create output directory if needed
+    if not os.path.exists(global_params.result_path):
+        os.makedirs(global_params.result_path, exist_ok=True)
+
+    # make a copy of the input configuration file into the output directory for future reference
+    print('- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -')
+    print('-> save config file')
+    shutil.copy2(config_file_path, global_params.result_path + 'configuration.ini')
+
     # ----------------------------------------------------------------------------------------------------------------------
     ## Run ForMoSA
     print('- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -')
     print('-> Initializing ForMoSA')
     print()
 
-
     if len(sys.argv) == 1:
         y_n_par = yesno('Do you want to adapt the grid to your data? (y/n)')
     else: