New version for src workchain (#300)

Fix the issue that `QeAppWorkChain` is not updated with the QeApp.

We are now maintaining `setup.py` of the `QeAppWorkChain` in the `src/__init__.py` separated from the QeApp PyPI package. Every time the QeApp is released, it is supposed to bump the QE workchain version so it can be updated with the installation. The bug is the version of the workchain is hardcoded to `v1.0` and updating the qeApp will not update the workchain in the end. 
It is fixed by having the workchain version synchronize with the qeApp version. It uses the `bumpver` tool to accomplish this.

setup.cfg

@@ -17,15 +17,15 @@ classifiers =
 project_urls =
     Bug Tracker = https://github.com/aiidalab/aiidalab-qe/issues
     Documentation = https://github.com/aiidalab/aiidalab-qe#readme
-    Logo = https://raw.githubusercontent.com/aiidalab/aiidalab-qe/v20.12.0/miscellaneous/logos/QE.jpg
+    Logo = https://raw.githubusercontent.com/aiidalab/aiidalab-qe/master/miscellaneous/logos/QE.jpg
 
 [options]
 packages = find:
 install_requires =
     Jinja2~=2.11.3
     aiida-core~=1.0
     aiida-quantumespresso~=3.5
-    aiidalab-qe-workchain@https://github.com/aiidalab/aiidalab-qe/releases/download/v22.09.1/aiidalab_qe_workchain-1.0-py3-none-any.whl
+    aiidalab-qe-workchain@https://github.com/aiidalab/aiidalab-qe/releases/download/v22.09.1/aiidalab_qe_workchain-22.9.1-py3-none-any.whl
     aiidalab-widgets-base~=1.4.1
     filelock~=3.3.0
     importlib-resources~=5.2.2
@@ -34,7 +34,7 @@ python_requires = >=3.7
 
 [options.extras_require]
 dev =
-    bumpver==2021.1114
+    bumpver==2022.1119
     pre-commit==2.11.1
 
 [options.package_data]
@@ -63,7 +63,9 @@ push = True
 [bumpver:file_patterns]
 aiidalab_qe/version.py =
     __version__ = "{version}"
+src/aiidalab_qe_workchain/__init__.py =
+    __version__ = "{pep440_version}"
 setup.cfg =
     current_version = "{version}"
     version = {pep440_version}
-    aiidalab-qe-workchain@https://github.com/aiidalab/aiidalab-qe/releases/download/{version}/aiidalab_qe_workchain-1.0-py3-none-any.whl
+    aiidalab-qe-workchain@https://github.com/aiidalab/aiidalab-qe/releases/download/{version}/aiidalab_qe_workchain-{pep440_version}-py3-none-any.whl

src/README.md

@@ -6,7 +6,7 @@ The `src/` directory contains the `aiidalab_qe_workchain` package that must be i
 
 The app distributes its own AiiDA workchain implementation which constitutes an app dependency and must therefore be globally installed so that the AiiDA daemon is able to import it.
 The workchain package is automatically built as a wheel and attached to every app release via the [GitHub actions `Release` workflow](https://github.com/aiidalab/aiidalab-qe/blob/master/.github/workflows/release.yml).
-In this way one can install the wheel directly from the GitHub release via a PEP 508 compliant URL, example: `aiidalab-qe-workchain @ https://github.com/aiidalab/aiidalab-qe/releases/download/v22.01.0/aiidalab_qe_workchain-1.0-py3-none-any.whl`
+In this way one can install the wheel directly from the GitHub release via a PEP 508 compliant URL, example: `aiidalab-qe-workchain @ https://github.com/aiidalab/aiidalab-qe/releases/download/v22.01.0/aiidalab_qe_workchain-22.01.0-py3-none-any.whl`
 
 ## How to update the `aiidalab_qe_workchain` package
 
@@ -26,7 +26,7 @@ Additional notes:
 
 The following alternatives approaches for the distribution of the workchain wheel could be considered (in rough order of preference at the time of writing):
 
-1. Install the package directly from the app directory (something like: `aiidalab-qe-workchain@file://./src/dist/aiidalab_qe_workchain-1.0-py3-none-any.whl`).
+1. Install the package directly from the app directory (something like: `aiidalab-qe-workchain@file://./src/dist/aiidalab_qe_workchain-22.01.0-py3-none-any.whl`).
    However this is currently not possible, because it would be difficult to reliably determine the absolute location of the package and non-local URIs are not universally supported
 2. Distribute the wheel [via GitHub packages](https://github.com/orgs/aiidalab/packages) once [Python packages are supported](https://github.com/github/roadmap/issues/94).
 3. Distribute the workchain as part of its own dedicated package or as part of the [aiida-quantumespresso](https://github.com/aiidateam/aiida-quantumespresso) package.

src/aiidalab_qe_workchain/__init__.py

@@ -394,4 +394,4 @@ def on_terminated(self):
             )
 
 
-__version__ = "1.0"
+__version__ = "22.9.1"

src/setup.cfg

@@ -1,6 +1,6 @@
 [metadata]
 name = aiidalab_qe_workchain
-version = 1.0
+version = 22.09.1
 description = Package for the AiiDAlab QE app workchain
 long_description = file: README.md
 long_description_content_type = text/markdown