Rename scripts to build

.github/workflows/main.yml

@@ -71,7 +71,8 @@ jobs:
       - name: Create build scripts in scripts/scripts
         shell: bash
         run: >
-          python3 scripts.py
+          python3 build.py
+          --create-scripts
           --platform ${{ runner.os }}
           --compiler ${{ matrix.toolchain.exe }}
           --mode debug
@@ -169,7 +170,7 @@ jobs:
 
       - name: Prepare for uploading Python package wheel of pyCFML
         shell: bash
-        run: echo "WHEEL_DIR=$(python3 scripts.py --print-wheel-dir)" >> $GITHUB_ENV
+        run: echo "WHEEL_DIR=$(python3 build.py --print-wheel-dir)" >> $GITHUB_ENV
 
       - name: Upload zipped Python package wheel of pyCFML for next job
         uses: actions/upload-artifact@v4
@@ -228,7 +229,8 @@ jobs:
       - name: Create job step scripts
         shell: bash
         run: >
-          python3 scripts.py
+          python3 build.py
+          --create-scripts
           --platform ${{ runner.os }}
           --compiler ${{ matrix.toolchain.exe }}
           --mode debug
@@ -237,7 +239,7 @@ jobs:
 
       - name: Prepare for downloading Python package wheel of pyCFML
         shell: bash
-        run: echo "WHEEL_DIR=$(python3 scripts.py --print-wheel-dir)" >> $GITHUB_ENV
+        run: echo "WHEEL_DIR=$(python3 build.py --print-wheel-dir)" >> $GITHUB_ENV
 
       - name: Download zipped pyCFML wheel from previous job
         uses: actions/download-artifact@v4
@@ -325,7 +327,8 @@ jobs:
       - name: Create build scripts in scripts/scripts
         shell: bash
         run: >
-          python3 scripts.py
+          python3 build.py
+          --create-scripts
           --platform ${{ runner.os }}
           --compiler ${{ matrix.toolchain.exe }}
           --mode debug
@@ -399,9 +402,9 @@ jobs:
       - name: Prepare for uploading Python package wheel of pyCFML
         shell: bash
         run: |
-          echo "WHEEL_DIR=$(python3 scripts.py --print-wheel-dir)" >> $GITHUB_ENV
-          echo "RELEASE_VERSION=$(python3 scripts.py --print-release-version)" >> $GITHUB_ENV
-          echo "RELEASE_TITLE=$(python3 scripts.py --print-release-title)" >> $GITHUB_ENV
+          echo "WHEEL_DIR=$(python3 build.py --print-wheel-dir)" >> $GITHUB_ENV
+          echo "RELEASE_VERSION=$(python3 build.py --print-release-version)" >> $GITHUB_ENV
+          echo "RELEASE_TITLE=$(python3 build.py --print-release-title)" >> $GITHUB_ENV
 
       - name: Upload Python package wheel to releases (non-master branch)
         if: github.event_name == 'push' && env.BRANCH_NAME != 'master'

scripts.py → build.py

@@ -7,13 +7,15 @@
 import sysconfig
 import toml
 #import tomllib
+from colorama import Fore, Back, Style
 from pathlib import Path
 from pygit2 import Repository
 
 global ARGS
 global CONFIG
 
 MSG_COLOR = r'\033[0;33m'  # orange
+ERROR_COLOR = r'\033[0;31m'  # red
 HEAD_COLOR = r'\033[1;34m'  # bold blue
 COLOR_OFF = r'\033[0m'
 
@@ -52,15 +54,15 @@ def _echo_cmd():
         return 'echo -e'
     return 'echo'
 
-def _echo_msg(msg: str):
+def _echo_msg(msg:str):
     return f'{_echo_cmd()} "{MSG_COLOR}:::::: {msg}{COLOR_OFF}"'
 
 def _echo_progress_msg(current: int, total: int, msg: str):
     progress = _compiling_progress(current, total)
     msg = f"[{progress:>3}%] {msg}"
     return _echo_msg(msg)
 
-def _echo_header(msg: str):
+def _echo_header(msg:str):
     msg = f'{HEAD_COLOR}:::::: {msg} ::::::{COLOR_OFF}'
     sep = ':' * (len(msg) - len(f'{HEAD_COLOR}') - len(f'{COLOR_OFF}'))
     lines = []
@@ -70,6 +72,12 @@ def _echo_header(msg: str):
     lines.append(f'{_echo_cmd()} "{HEAD_COLOR}{sep}{COLOR_OFF}"')
     return lines
 
+def _print_msg(msg:str):
+    print(Fore.GREEN + f':::::: {msg}' + Style.RESET_ALL)
+
+def _print_error_msg(msg:str):
+    print(Fore.RED + f':::::: ERROR: {msg}' + Style.RESET_ALL)
+
 def _processor():
     processor = platform.processor()
     processor = processor.split()[0]  # get the 1st word from string, such as 'Intel64 Family 6 Model 154 Stepping 3, GenuineIntel'
@@ -403,6 +411,9 @@ def _compile_executables_script_lines(modules: str,
 
 def parsed_args():
     parser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter)
+    parser.add_argument("--create-scripts",
+                        action='store_true',
+                        help="create scripts for building and testing")
     parser.add_argument("--platform",
                         default="macos",
                         choices=['macos', 'linux', 'windows'],
@@ -1031,8 +1042,8 @@ def change_runpath_for_built_pycfml():
     # install_name_tool -rpath /opt/intel/oneapi/compiler/2023.2.0/mac/bin/intel64/../../compiler/lib @loader_path dist/pyCFML/pycrysfml/crysfml08lib.so
     # install_name_tool -delete_rpath /usr/local/Cellar/gcc/13.2.0/lib/gcc/current dist/pyCFML/pycrysfml/crysfml08lib.so
     # install_name_tool -change /usr/local/opt/gcc/lib/gcc/current/libgfortran.5.dylib @rpath/libgfortran.5.dylib dist/pyCFML/pycrysfml/crysfml08lib.so
-    # otool -l dist/pyCFML/pycrysfml/crysfml08lib.so | grep RPATH -A2  # build.rpaths in in scripts.toml
-    # otool -L dist/pyCFML/pycrysfml/crysfml08lib.so                   # build.dependent-libs in scripts.toml
+    # otool -l dist/pyCFML/pycrysfml/crysfml08lib.so | grep RPATH -A2  # build.rpaths in in build.toml
+    # otool -L dist/pyCFML/pycrysfml/crysfml08lib.so                   # build.dependent-libs in build.toml
     try:
         rpaths = CONFIG['build']['rpaths'][_platform()][_processor()][_compiler_name()]
     except KeyError:
@@ -1316,7 +1327,7 @@ def run_pycfml_functional_tests_no_benchmarks():
 if __name__ == '__main__':
     ARGS = parsed_args()
     PYPROJECT = loaded_pyproject()
-    CONFIG = loaded_config('scripts.toml')
+    CONFIG = loaded_config('build.toml')
 
     if ARGS.print_wheel_dir:  # NEED FIX. Maybe save extras to toml as in EDA?
         _print_wheel_dir()
@@ -1330,6 +1341,10 @@ def run_pycfml_functional_tests_no_benchmarks():
         _print_release_title()
         exit(0)
 
+    if not ARGS.create_scripts:  # NEED FIX. Need proper check if create scripts or print flags are given
+        _print_error_msg('Incorrect set of command line arguments')
+        exit(1)
+
     CFML = CONFIG['cfml']['log-name']
     pyCFML = CONFIG['pycfml']['log-name']
 
@@ -1407,3 +1422,5 @@ def run_pycfml_functional_tests_no_benchmarks():
     add_main_script_header(f"Run {pyCFML} tests")
     run_pycfml_unit_tests()
     run_pycfml_functional_tests_no_benchmarks()
+
+    _print_msg(f'All scripts were successfully created in {_scripts_path()}')

scripts.toml → build.toml

@@ -35,7 +35,7 @@ pyapigen = 'repo/CFML/Scripts/PythonAPI/apigen.py'
 [pycfml]
 log-name = 'pyCFML'
 src-name = 'crysfml08lib'
-dynamic-lib-name = 'crysfml08lib' # NEED FIX: currently not in use in scripts.py
+dynamic-lib-name = 'crysfml08lib' # NEED FIX: currently not in use in build.py
 
 [pycfml.dir]
 build-src = 'build/pyCFML/src'              # content will be generated by apigen.py

pyproject.toml

@@ -32,6 +32,7 @@ ci = [
   'validate-pyproject[all]',
   'build',
   'wheel',
+  'colorama',
   'toml'  # need this, as tomllib is only available for python >=3.11
 ]
 test = [