Merge pull request #11 from MilanSkocic/dev

Unify dev and main

.github/workflows/ci.yml

@@ -30,11 +30,11 @@ jobs:
         make
 
   macos: 
-    runs-on: macos-latest
+    runs-on: macos-12
     steps:
     - name: Gfortran
       run: |
-        brew reinstall gcc@10 gcc@13
+        brew reinstall gcc@10 gfortran
     - name: Set FPM
       uses: fortran-lang/setup-fpm@v5
       with: 
@@ -70,4 +70,4 @@ jobs:
     - name: Compile
       run: |
         . ./configure.sh
-        make
+        make

.gitignore

@@ -17,13 +17,17 @@ bin/
 build/
 docs/build/
 dist/
+API-doc/
 .vscode/
 *.obj
 *.o
 *.mod
+*.pyd
+*.dll.a
 *.a
 *.dll
 *.so
+*.dylib
 
 *.egg-info
 __pycache__
@@ -33,11 +37,11 @@ __pycache__
 
 *generator*
 
-pywrapper/pyiapws/*.h
-pywrapper/pyiapws/*.a
-pywrapper/pyiapws/*.dll
-pywrapper/pyiapws/*.dll.a
-pywrapper/pyiapws/*.so
-pywrapper/pyiapws/*.dylib
-pywrapper/pyiapws/*.pyd
-pywrapper/wheelhouse/
+pywrapper/src/pyiapws/*.h
+pywrapper/src/pyiapws/*.a
+pywrapper/src/pyiapws/*.dll
+pywrapper/src/pyiapws/*.dll.a
+pywrapper/src/pyiapws/*.so
+pywrapper/src/pyiapws/*.dylib
+pywrapper/src/pyiapws/*.pyd
+pywrapper/wheelhouse/

documentation/ford/conf.md → API-doc-FORD-file.md

@@ -3,14 +3,17 @@ project: iapws
 summary: IAPWS - Water properties
 project_github: https://github.com/MilanSkocic/iapws
 project_download: https://github.com/MilanSkocic/iapws/releases
+project_website: https://milanskocic.github.io/iapws-docs/index.html
 author: Milan Skocic
 email: milan.skocic@icloud.com
 github: https://github.com/MilanSkocic
-website: https://milanskocic.github.io/iapws/index.html
-src_dir: ../../src
-output_dir: ../sphinx/build/html/ford
-exclude_dir: ../../example
-             ../../test
+src_dir: ./src
+include: ./include
+media_dir: ./media
+page_dir: ./doc
+output_dir: API-doc
+exclude_dir: ./example
+             ./test
 display: public
          protected
 source: true
@@ -19,11 +22,20 @@ sort: permission-alpha
 print_creation_date: true
 md_extensions: markdown.extensions.toc
                markdown.extensions.smarty
+fpp_extensions: fypp
+preprocess: true
+preprocessor: fypp
+graph: true
+graph_maxnodes: 250
+graph_maxdepth: 5
+coloured_edges: true
+license: by-sa
+favicon: media/logo.ico
 ---
 
-![iapws](../_images/logo-iapws.png)
+![iapws](./media/logo.png)
 
-This is the documentation of the Fortran code. 
+[TOC]
 
-Go back to the main documentation [click here](../api/index.html)
+{!README.md!}
 

CHANGELOG.md

@@ -0,0 +1,85 @@
+# Version 0.3.0
+
+* API break: functions for the Fortran code were renamed: 
+   * They do not contain the package+module in the name for the sake of simplicity 
+   * The package is only added in the functions for the C API in order to have a namespace-like behavior.
+   * If needed for solving conflicts with other packages, the functions can be aliased.
+* Remove separate sources files for the C API code for each module.
+  Each module now contains the code for the C API.
+* Implement tests with the test-drive framework.
+* Add version extension in the pywrapper.
+* Implement version module with its getter.
+* Documentation update.
+* C API and Python wrapper moved to their own repositories.
+    * [C wrapper](https://github.com/MilanSkocic/iapws-capi)
+    * [Python wrapper](https://github.com/MilanSkocic/iapws-py)
+
+
+
+
+# Version 0.2.2
+
+* Implementation of report R283 for critical constants of water.
+* Switch to pyproject.toml for python wrapper.
+* Code refractoring and clean up.
+* Documentation update.
+
+Full changelog available at [github](https://github.com/MilanSkocic/iapws/releases)
+
+
+
+
+# Version 0.2.1
+
+
+* Comlete missing documentation of private functions.
+* Minor fixes in C API code as well in python wrapper.
+* Remove unecessary dependency in Makefile.
+
+Full changelog available at [github](https://github.com/MilanSkocic/iapws/releases)
+
+
+
+# Version 0.2.0
+
+* New structure with modules corresponding to the IAPWS papers.
+* Compatible with fpm.
+* fpm module naming convention.
+* API break for iapws_g704_kh and iapws_g704_kd functions:
+   * only 1d-arrays as inputs in Fortran and C API.
+   * only objects with buffer protocol as inputs in python wrapper.
+   * python wrappers return memoryviews.
+* New functions:
+   * providing the number of gases in H2O and D2O.
+   * providing the available of gases in H2O and D2O as list of strings.
+   * providing the available of gases in H2O and D2O as a unique string.
+* Cleanup old app code not needed anymore.
+* Fix memory allocation in pywrapper.
+* Completed tests.
+* Documentation improvements:
+   * Add conversion equations from molar fractions to solubilities.
+   * Add plots for visualizing kh and kd.
+
+Full changelog available at [github](https://github.com/MilanSkocic/iapws/releases)
+
+
+
+
+# Version 0.1.1
+
+* Logo creation
+* Error handling in python wrapper for arrays with rank greater than 1
+* Tests in python wrapper for expected failures with rank-n arrays
+
+Full changelog available at [github](https://github.com/MilanSkocic/iapws/releases)
+
+
+
+
+# Version 0.1.0
+
+* Implementation of kH and kD from IAPWS G7-04 in fortran + C API
+* Python wrapper for kH and kD.
+* Documentation with sphinx.
+
+Full changelog available at [github](https://github.com/MilanSkocic/iapws/releases)

LICENSE

@@ -0,0 +1,20 @@
+Copyright (c) 2021-2024 Milan Skocic
+
+Permission is hereby granted, free of charge, to any person obtaining
+a copy of this software and associated documentation files (the
+"Software"), to deal in the Software without restriction, including
+without limitation the rights to use, copy, modify, merge, publish,
+distribute, sublicense, and/or sell copies of the Software, and to
+permit persons to whom the Software is furnished to do so, subject to
+the following conditions:
+
+The above copyright notice and this permission notice shall be
+included in all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
+EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
+MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
+NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE
+LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION
+OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION
+WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.