Clean up icons and prepare for full release

.github/workflows/release.yml

@@ -29,12 +29,12 @@ jobs:
       - name: Package Linux App
         run: |
           rye run box package
-          mv target/release/rimsschemedrawer target/release/rimsschemedrawer-linux
+          rye run box installer
       - name: Release
         uses: softprops/action-gh-release@v2
         with:
           files:
-            ${{ github.workspace }}/target/release/rimsschemedrawer-linux
+            ${{ github.workspace }}/target/release/*linux.sh
           tag_name: ${{ github.ref_name }}
           name: RIMSSchemeDrawer ${{ github.ref_name }}
           body_path: ${{ github.workspace }}/release_text.md
@@ -59,12 +59,12 @@ jobs:
         run: |
           box init -q -b build
           box package
-          mv target/release/rimsschemedrawer.exe target/release/rimsschemedrawer-windows.exe
+          box installer
       - name: Add to Release
         uses: softprops/action-gh-release@v1
         with:
           files:
-            target/release/rimsschemedrawer-windows.exe
+            target/release/*win.exe
           tag_name: ${{ github.ref_name }}
 
   build-macos:
@@ -83,10 +83,10 @@ jobs:
       - name: Package MacOS App
         run: |
           rye run box package
-          mv target/release/rimsschemedrawer target/release/rimsschemedrawer-macos
+          rye run box installer
       - name: Add to Release
         uses: softprops/action-gh-release@v1
         with:
           files:
-            target/release/rimsschemedrawer-macos
+            target/release/*macos.dmg
           tag_name: ${{ github.ref_name }}

pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "rimsschemedrawer"
-version = "3.0.0rc1"
+version = "3.0.0"
 description = "Drawing of RIMS schemes in python and/or with a Python GUI."
 authors = [
     { name = "Reto Trappitsch", email = "[email protected]" }
@@ -45,7 +45,7 @@ dev-dependencies = [
     "pytest-cov>=4.1.0",
     "requests>=2.31.0",
     "rttools @ git+https://github.com/trappitsch/rttools",
-    "box-packager>=0.2.0",
+    "box-packager>=0.3.0",
 ]
 
 [tool.rye.scripts]

release_text.md

@@ -1,6 +1,12 @@
-Release of RIMSSchemeDrawer `v3.0.0rc1`
+Release of RIMSSchemeDrawer `v3.0.0`
 
-This is the first release candidate for the new version of the RIMSSchemeDrawer.
-It should be fully compatible with the previous version's config files, however, discrepancies might occur since the ionization potential is now coded into the drawer itself and cannot be user selected anymore. Be aware of changes.
+This is the new RIMSSchemeDrawer `v3.0.0` release. The main user features that are new are the following:
 
-Currently, executables for Linux, Windows, and MacOS are published, however, these are not installers yet. The full release will include installers that place the program nicely for you.
+- Figures can be plotted in light and dark mode with transparent or solid backgrounds (useful for presentations).
+- The ionization potential is automatically filled and not anymore user supplied. For details on ionization potential, see the [RIS database website](https://rims-code.github.io).
+- Proper documentation of the program is available [here](https://rimsschemedrawer.readthedocs.io/en/latest/).
+- Config files loading and saving are compatible with submitting schemes for the [RIS database website](https://rims-code.github.io).
+- Lasers that were used can now be selected (mainly important for database submission).
+- The program is not only available as a pre-packaged installer, but can also be installed directly from `pypi` (see [docs](https://rimsschemedrawer.readthedocs.io/en/latest/install.html)).
+
+As always, if you find any issues, please report them and have fun with the new version.

requirements-dev.lock

@@ -13,8 +13,8 @@ attrs==23.2.0
     # via hypothesis
 babel==2.15.0
     # via mkdocs-material
-box-packager==0.2.0
-certifi==2024.2.2
+box-packager==0.3.0
+certifi==2024.6.2
     # via requests
 charset-normalizer==3.3.2
     # via requests
@@ -33,13 +33,13 @@ coverage==7.5.3
     # via pytest-cov
 cycler==0.12.1
     # via matplotlib
-fonttools==4.52.4
+fonttools==4.53.0
     # via matplotlib
 ghp-import==2.1.0
     # via mkdocs
 griffe==0.45.2
     # via mkdocstrings-python
-hypothesis==6.103.0
+hypothesis==6.103.1
 idna==3.7
     # via requests
 iniabu==1.1.2
@@ -82,7 +82,7 @@ mkdocs-autorefs==1.0.1
     # via mkdocstrings
 mkdocs-get-deps==0.2.0
     # via mkdocs
-mkdocs-material==9.5.25
+mkdocs-material==9.5.26
     # via rimsschemedrawer
 mkdocs-material-extensions==1.3.1
     # via mkdocs-material
@@ -132,11 +132,11 @@ pyparsing==3.1.2
     # via matplotlib
 pyqt6==6.7.0
     # via rimsschemedrawer
-pyqt6-qt6==6.7.0
+pyqt6-qt6==6.7.1
     # via pyqt6
 pyqt6-sip==13.6.0
     # via pyqt6
-pytest==8.2.1
+pytest==8.2.2
     # via pytest-cov
 pytest-cov==5.0.0
 python-dateutil==2.9.0.post0
@@ -156,7 +156,7 @@ qtpy==2.4.1
     # via rimsschemedrawer
 regex==2024.5.15
     # via mkdocs-material
-requests==2.32.2
+requests==2.32.3
     # via mkdocs-material
 rich==13.7.1
     # via box-packager
@@ -172,7 +172,7 @@ sortedcontainers==2.4.0
     # via hypothesis
 tomlkit==0.12.5
     # via box-packager
-typing-extensions==4.12.0
+typing-extensions==4.12.1
     # via pint
     # via rich-click
 tzdata==2024.1

requirements.lock

@@ -11,7 +11,7 @@
 -e file:.
 babel==2.15.0
     # via mkdocs-material
-certifi==2024.2.2
+certifi==2024.6.2
     # via requests
 charset-normalizer==3.3.2
     # via requests
@@ -25,7 +25,7 @@ contourpy==1.2.1
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-fonttools==4.52.4
+fonttools==4.53.0
     # via matplotlib
 ghp-import==2.1.0
     # via mkdocs
@@ -64,7 +64,7 @@ mkdocs-autorefs==1.0.1
     # via mkdocstrings
 mkdocs-get-deps==0.2.0
     # via mkdocs
-mkdocs-material==9.5.25
+mkdocs-material==9.5.26
     # via rimsschemedrawer
 mkdocs-material-extensions==1.3.1
     # via mkdocs-material
@@ -99,7 +99,7 @@ pyparsing==3.1.2
     # via matplotlib
 pyqt6==6.7.0
     # via rimsschemedrawer
-pyqt6-qt6==6.7.0
+pyqt6-qt6==6.7.1
     # via pyqt6
 pyqt6-sip==13.6.0
     # via pyqt6
@@ -117,7 +117,7 @@ qtpy==2.4.1
     # via rimsschemedrawer
 regex==2024.5.15
     # via mkdocs-material
-requests==2.32.2
+requests==2.32.3
     # via mkdocs-material
 six==1.16.0
     # via python-dateutil

src/rimsschemedrawer/gui.py

@@ -29,9 +29,14 @@ class SchemeDrawer(QtWidgets.QMainWindow):
     """RIMSSchemeDrawer."""
 
     def __init__(self):
+        super().__init__()
+
         # run in debug mode?
         self.rundebug = False
 
+        icon = Path(__file__).parent.joinpath("assets/icon.svg").absolute()
+        self.setWindowIcon(QtGui.QIcon(str(icon)))
+
         # program info
         self.author = "Reto Trappitsch"
         self.version = importlib.metadata.version("rimsschemedrawer")
@@ -40,7 +45,6 @@ def __init__(self):
         self.user_path = Path.home()
 
         # initialize the thing
-        super().__init__()
         self.title = "RIMS Scheme Drawer"
         self.left = 50
         self.top = 80