Merge pull request #5 from MilanSkocic/dev

0.2.2

.github/workflows/ci.yml

@@ -0,0 +1,73 @@
+name: CI
+
+on:
+  push:
+    branches: [ "main", "dev" ]
+  pull_request:
+    branches: [ "main", "dev" ]
+
+jobs:
+  linux:
+    runs-on: ubuntu-latest
+    steps:
+    - name: Gfortran  
+      run: |
+        sudo update-alternatives \
+          --install /usr/bin/gcc gcc /usr/bin/gcc-10 100 \
+          --slave /usr/bin/gfortran gfortran /usr/bin/gfortran-10 \
+          --slave /usr/bin/gcov gcov /usr/bin/gcov-10
+    - name: Set FPM
+      uses: fortran-lang/setup-fpm@v5
+      with: 
+        fpm-version: "v0.9.0"
+    - name: Gfortran version
+      run : gfortran --version
+    - name: Checkout
+      uses: actions/checkout@v4
+    - name: Compile
+      run: |
+        . ./configure.sh
+        make
+
+  macos: 
+    runs-on: macos-latest
+    steps:
+    - name: Gfortran
+      run: |
+        brew reinstall gcc@10 gcc@13
+    - name: Set FPM
+      uses: fortran-lang/setup-fpm@v5
+      with: 
+        fpm-version: "v0.9.0"
+    - name: Gfortran version
+      run : gfortran --version
+    - name: Checkout
+      uses: actions/checkout@v4
+    - name: Compile
+      run: |
+        . ./configure.sh
+        make
+  
+  windows: 
+    runs-on: windows-latest
+    defaults:
+      run:
+        shell: msys2 {0}
+    steps: 
+    - name: MSYS2, Gfortran, fpm
+      uses: msys2/setup-msys2@v2
+      with:
+        msystem: MINGW64
+        install: >-
+          mingw-w64-x86_64-gcc-fortran
+          mingw-w64-x86_64-fpm
+          git
+          make
+    - name: Gfortran version
+      run : gfortran --version
+    - name: Checkout
+      uses: actions/checkout@v4
+    - name: Compile
+      run: |
+        . ./configure.sh
+        make

.gitignore

@@ -31,6 +31,8 @@ __pycache__
 
 .DS_Store
 
+*generator*
+
 pywrapper/pyiapws/*.h
 pywrapper/pyiapws/*.a
 pywrapper/pyiapws/*.dll

INSTALL.rst

@@ -1,21 +1,24 @@
-A Makefile is provided, which uses `fpm <https://fpm.fortran-lang.org/en/index.html>`_, for building the library.
+A Makefile is provided, which uses `fpm <https://fpm.fortran-lang.org>`_, for building the library.
 
-On windows, `msys2 <https://www.msys2.org>`_ needs to be installed.
+On windows, `msys2 <https://www.msys2.org>`_ needs to be installed. The MSVC compiler is only necessary
+for compiling the python wrapper. 
+Add the msys2 binary (usually C:\msys64\usr\bin) to the path in order to be able to use make.
 
 On Darwin, the `gcc <https://formulae.brew.sh/formula/gcc>`_ toolchain needs to be installed.
 
 Build: the configuration file will set all the environmental variables necessary for the compilation
 
 .. code-block:: bash
 
-    source configuration
+    chmod +x configure.sh
+    . ./configure.sh
     make
 
 Run tests
 
 .. code-block:: bash
     
-    fpm test
+    make test
 
 Install
 
@@ -34,4 +37,5 @@ If building the python wrapper is needed:
 .. code-block:: bash
 
     cd pywrapper
-    python setup.py bdist_wheel
+    make clean
+    make plat=(windows, linux or darwin)

Makefile

@@ -4,51 +4,91 @@ else
 	install_dir=$(DEFAULT_INSTALL_DIR)
 endif
 
-.PHONY: all clean install uninstall copy_h copy_a shared_linux shared_windows shared_darwin
+.PHONY: clean install uninstall copy_h copy_a shared_linux shared_windows shared_darwin
 
-all: $(LIBNAME)
+all: clean $(LIBNAME)
 
-$(LIBNAME): build copy_h copy_a shared copy_shared
+$(LIBNAME): build copy_a shared copy_h copy_shared
 
-build: clean
+generator:
+	make -C srcgen generator
+
+build: generator
 	fpm build --profile=release
 
+build_debug: generator
+	fpm build --profile=debug
+
+test: build
+	fpm test --profile=release
+
+test_debug: build_debug
+	fpm test --profile=debug
+
+example: build
+	fpm run --profile=release --example --all
+
+example_debug: build_debug
+	fpm run --profile=debug --example --all
+
 shared: shared_$(PLATFORM)
 
+copy_shared: copy_shared_$(PLATFORM)
+
 shared_linux:
-	gfortran -shared -o $(BUILD_DIR)/lib$(LIBNAME).so -Wl,--whole-archive $(BUILD_DIR)/lib$(LIBNAME).a -Wl,--no-whole-archive
+	$(FC) -shared -o $(BUILD_DIR)/lib$(LIBNAME).so -Wl,--whole-archive $(BUILD_DIR)/lib$(LIBNAME).a -Wl,--no-whole-archive
 
 shared_darwin: 
-	gfortran -dynamiclib -install_name @rpath/lib$(LIBNAME).dylib -static-libgfortran -static-libquadmath -static-libgcc -o $(BUILD_DIR)/lib$(LIBNAME).dylib -Wl,-all_load $(BUILD_DIR)/lib$(LIBNAME).a -Wl,-noall_load
+	$(FC) -dynamiclib -install_name @rpath/lib$(LIBNAME).dylib $(FPM_LDFLAGS) -o $(BUILD_DIR)/lib$(LIBNAME).dylib -Wl,-all_load $(BUILD_DIR)/lib$(LIBNAME).a
 
 shared_windows: 
-	gfortran -shared -static -o $(BUILD_DIR)/lib$(LIBNAME).dll -Wl,--out-implib=$(BUILD_DIR)/lib$(LIBNAME).dll.a,--export-all-symbols,--enable-auto-import,--whole-archive $(BUILD_DIR)/lib$(LIBNAME).a -Wl,--no-whole-archive
+	$(FC) -shared $(FPM_LDFLAGS) -o $(BUILD_DIR)/lib$(LIBNAME).dll -Wl,--out-implib=$(BUILD_DIR)/lib$(LIBNAME).dll.a,--export-all-symbols,--enable-auto-import,--whole-archive $(BUILD_DIR)/lib$(LIBNAME).a -Wl,--no-whole-archive
 
 copy_a:
-	cp $(shell find ./build -type f -name lib$(LIBNAME).a) $(BUILD_DIR)
+	cp -f $(shell find ./build -type f -name lib$(LIBNAME).a) $(BUILD_DIR)
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).a $(BUILD_DIR)/lib$(LIBNAME)-$(PLATFORM)-$(ARCH)-$(VERSION).a
 
 copy_h: 
-	cp $(INCLUDE_DIR)/$(LIBNAME)*.h $(PYW_MOD_DIR)/
+	cp -f $(INCLUDE_DIR)/$(LIBNAME)*.h $(PYW_MOD_DIR)/
+
+copy_shared_linux:
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).so $(BUILD_DIR)/lib$(LIBNAME)-$(PLATFORM)-$(ARCH)-$(VERSION).so
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).so $(PYW_MOD_DIR)
 
-copy_shared:
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).so $(PYW_MOD_DIR) | true
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).dylib $(PYW_MOD_DIR) | true
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll $(PYW_MOD_DIR) | true
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll.a $(PYW_MOD_DIR) | true
+copy_shared_darwin:
+	cp $(BUILD_DIR)/lib$(LIBNAME).dylib $(BUILD_DIR)/lib$(LIBNAME)-$(PLATFORM)-$(ARCH)-$(VERSION).dylib
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dylib $(PYW_MOD_DIR)
+
+copy_shared_windows:
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll $(BUILD_DIR)/lib$(LIBNAME)-$(PLATFORM)-$(ARCH)-$(VERSION).dll
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll.a $(BUILD_DIR)/lib$(LIBNAME)-$(PLATFORM)-$(ARCH)-$(VERSION).dll.a
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll $(PYW_MOD_DIR)
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll.a $(PYW_MOD_DIR)
 
 clean:
 	fpm clean --all
+	rm -f src/*.mod
+	make -C srcgen clean
+	make -C $(PYW_MOD_DIR) clean
+
+install: install_dirs install_$(PLATFORM)
 
-install:
+install_dirs: 
 	mkdir -p $(install_dir)/bin
 	mkdir -p $(install_dir)/include
 	mkdir -p $(install_dir)/lib
 	fpm install --prefix=$(install_dir)
 	cp -f ./include/*.h $(install_dir)/include
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).so $(install_dir)/lib | true
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).dylib $(install_dir)/lib | true
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll.a $(install_dir)/lib | true
-	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll $(install_dir)/bin | true
+
+install_linux:
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).so $(install_dir)/lib
+
+install_darwin:
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dylib $(install_dir)/lib
+
+install_windows:
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll.a $(install_dir)/lib
+	cp -f $(BUILD_DIR)/lib$(LIBNAME).dll $(install_dir)/bin
 
 uninstall:
 	rm -f $(install_dir)/include/$(LIBNAME)*.h

README.rst

@@ -1,9 +1,14 @@
+.. |cidev| image:: https://github.com/MilanSkocic/iapws/actions/workflows/ci.yml/badge.svg?branch=dev
+.. |cimain| image:: https://github.com/MilanSkocic/iapws/actions/workflows/ci.yml/badge.svg?branch=main
+
+dev |cidev| / main |cimain|
+
 Introduction
 ================
 
 .. image:: ./media/logo-iapws.png
     :width: 200
-
+   
 .. readme_inclusion_start
 
 `ipaws` is a  Fortran library providing the formulas for computing light and heavy water properties.

configuration → configure.sh

@@ -1,6 +1,7 @@
 LIBNAME="iapws"
 
 # environment variables
+FC=gfortran
 PYW_DIR="./pywrapper"
 BUILD_DIR="./build"
 INCLUDE_DIR="./include"
@@ -11,6 +12,22 @@ FPM_LDFLAGS="-static"
 DEFAULT_INSTALL_DIR="$HOME/.local"
 PLATFORM="linux"
 
+IFS='-'
+tmp=$(gcc -dumpmachine)
+read -a tmp_arr <<< "$tmp"
+ARCH="${tmp_arr[0]}"
+
+IFS="="
+while read -r line; do
+    # Reading line by line
+    if [[ $line == "version"* ]] 
+    then
+        read -a tmp_arr <<< "$line"
+        VERSION=${tmp_arr[1]:2:5}
+        break
+    fi
+done < "fpm.toml"
+
 if [[ "$OSTYPE" == "msys" ]]; then
     DEFAULT_INSTALL_DIR="${APPDATA//\\//}/local"
     PLATFORM="windows"
@@ -31,14 +48,20 @@ export PYW_MOD_DIR
 export BUILD_DIR
 export INCLUDE_DIR
 export PLATFORM
+export ARCH
+export VERSION
+export FC
 
 echo "OS TYPE=" $OSTYPE
 echo "PLATFORM=" $PLATFORM
+echo "ARCH=" $ARCH
+echo "VERSION=" $VERSION
 echo "DEFAULT INSTALL DIR=" $DEFAULT_INSTALL_DIR
 echo "FPM_FLAGS=" $FPM_FFLAGS
 echo "FPM_CFLAGS=" $FPM_CFLAGS
 echo "FPM_LDFLAGS=" $FPM_LDFLAGS
 echo "PYW DIR=" $PYW_DIR
 echo "PYW MOD DIR=" $PYW_MOD_DIR
-echo "BUILD DIR" $BUILD_DIR
-echo "INCLUDE_DIR" $INCLUDE_DIR
+echo "BUILD DIR=" $BUILD_DIR
+echo "INCLUDE_DIR=" $INCLUDE_DIR
+echo "FC=" $FC

documentation/ford/conf.md

@@ -4,7 +4,7 @@ summary: IAPWS - Water properties
 project_github: https://github.com/MilanSkocic/iapws
 project_download: https://github.com/MilanSkocic/iapws/releases
 author: Milan Skocic
-author_email: [email protected]
+email: [email protected]
 github: https://github.com/MilanSkocic
 website: https://milanskocic.github.io/iapws/index.html
 src_dir: ../../src

documentation/sphinx/source/api/iapws.rst

@@ -14,6 +14,19 @@ Fortran
 
     .. literalinclude:: ../../../../src/iapws_g704.f90
         :language: Fortran
+
+    IAPWS R283: Critical Constants
+    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+    * `iapws_r283.f90`: Module for IAPWS R2-83
+
+    .. literalinclude:: ../../../../src/iapws_r283.f90
+        :language: Fortran
+
+    * `iapws_r283_capi.f90`: C API for IAPWS R2-83.
+
+    .. literalinclude:: ../../../../src/iapws_r283_capi.f90
+        :language: Fortran
 
     IAPWS G704: Gas solubilities
     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
@@ -23,7 +36,7 @@ Fortran
     .. literalinclude:: ../../../../src/iapws_g704.f90
         :language: Fortran
 
-    * `iapws_g704.f90`: C API for the IAPWS module.
+    * `iapws_g704_capi.f90`: C API for IAPWS G7-04.
 
     .. literalinclude:: ../../../../src/iapws_g704_capi.f90
         :language: Fortran
@@ -36,6 +49,16 @@ C
 .. literalinclude:: ../../../../include/iapws.h
     :language:  C
 
+.. _iapws_r283_capi:
+
+IAPWS R283: Critical Constants
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+* `iapws_r283.h`: C header.
+
+.. literalinclude:: ../../../../include/iapws_r283.h
+    :language: C
+
 IAPWS G704: Gas solubilities
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 

documentation/sphinx/source/api/pyiapws.rst

@@ -1,6 +1,15 @@
 pyipaws
 ================
 
+IAPWS R283: Critical Constants
+----------------------------------
+
+.. automodule:: pyiapws.r283
+    :members:
+
+The constants are defined as in the :ref:`C header <iapws_r283_capi>` without
+the prefix *iapws_r283_capi_*.
+
 IAPWS G704: Gas solubilities
 -------------------------------
 

documentation/sphinx/source/conf.py

@@ -40,8 +40,7 @@
 
 # General information about the project.
 project = "iapws"
-copyright = mod.__copyright__[14:]
-author = mod.__author__
+author = "M. Skocic"
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
@@ -118,7 +117,7 @@
 # -- Options for HTMLHelp output ------------------------------------------
 
 # Output file base name for HTML help builder.
-htmlhelp_basename = mod.__package_name__
+htmlhelp_basename = "iapws"
 
 
 # -- Options for LaTeX output ---------------------------------------------