Add action to upload to PyPI; Bugfixes

Author: mducle

.github/workflows/upload_pypi.yml

@@ -0,0 +1,28 @@
+name: Upload PyPI wheels
+
+on:
+  workflow_dispatch:
+
+jobs:
+  deploy:
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v2
+
+    - name: Setup python
+      uses: actions/setup-python@v1
+      with:
+        python-version: 3.7
+
+    - name: Install python dependencies
+      run: |
+       python -m pip install --upgrade pip
+       python -m pip install twine
+
+    - name: Publish wheels to PyPI
+      env:
+        TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
+        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
+      run: |
+        twine upload pace_wheelhouse/*.whl

docs/developers.md

@@ -30,11 +30,14 @@ python setup.py install --user
 
 The build will download the necessary Matlab packages (i.e. Horace and SpinW) and compile them.
 You will need a Matlab installation with the Matlab Compiler SDK toolbox installed.
+The Parallel Computation toolbox is also needed if you want build with Horace with `parpool` parallelisation.
+If you don't need this, also comment ou the relevant number in
+[make_package.m](https://github.com/pace-neutrons/pace-python/blob/main/installer/make_package.m#L13).
 In addition, you will need `cmake`, and a Matlab supported C compiler for your OS
 (generally `gcc-6`, `Visual Studio 2017` or `xcode-10.13` or newer).
 
 Note that Matlab only supports [certain Python versions](https://www.mathworks.com/content/dam/mathworks/mathworks-dot-com/support/sysreq/files/python-compatibility.pdf). 
-In particular, no Matlab versions supports Python 3.9, and only Matlab R2020b and newer supports Python 3.8.
+In particular, no Matlab versions supports Python 3.10 or higher, and only Matlab R2020b and newer supports Python 3.8.
 
 The build will install `pace_neutrons` as a module which can be imported.
 
@@ -53,7 +56,7 @@ If you have [chocolatey](https://chocolatey.org/) installed, you can install all
 
 ```
 choco install -y cmake --installargs 'ADD_CMAKE_TO_PATH=System'
-choco install -y visualstudio2019community --package-parameters "--includeRecommended --add Microsoft.VisualStudio.Workload.NativeDesktop
+choco install -y visualstudio2019community --package-parameters "--includeRecommended --add Microsoft.VisualStudio.Workload.NativeDesktop"
 choco install -y miniconda git
 Invoke-WebRequest -Uri https://raw.githubusercontent.com/majkinetor/posh/master/MM_Admin/Invoke-Environment.ps1 -OutFile C:\windows\system32\Invoke-Environment.psm1
 ```

pace_neutrons_cli/worker.py

@@ -50,6 +50,7 @@ def _get_args():
     parser.add_argument('-nosplash', action='store_true', help='Do not show splash screen')
     parser.add_argument('-nojvm', action='store_true', help='Do not start JVM')
     parser.add_argument('-nodesktop', action='store_true', help='Do not start desktop')
+    parser.add_argument('-softwareopengl', action='store_true', help='Use software OpenGL')
     parser.add_argument('ctrl_str', metavar='C', nargs='*', default='', help='Worker control string')
     return parser
 

release.py

@@ -8,7 +8,7 @@
 from importlib_resources import open_text
 import yaml
 from pace_neutrons import __version__
-from pace_neutrons_cli.utils import release_exists
+from pace_neutrons_cli.utils import release_exists, download_github
 
 def main():
     parser = get_parser()
@@ -58,11 +58,27 @@ def release_github(test=True):
 
 
 def release_pypi(test=True):
-    subprocess.run(['rm','-r','dist'])
-    subprocess.run(['rm','-r','build'])
-    subprocess.run(['python', 'setup.py', 'sdist'])
+    # Downloads wheels from github and upload to PyPI
+    response = requests.get(
+        'https://api.github.com/repos/pace-neutrons/pace-python/releases')
+    # Get the latest release
+    releases = response.json()
+    ids = [r['id'] for r in releases]
+    latest = [r for r in releases if r['id'] == max(ids)][0]
+    # Creates a custom wheelhouse folder
+    try:
+        os.mkdir('pace_wheelhouse')
+    except FileExistsError:
+        pass
+    # Loops through assets and downloads all the wheels
+    headers = {"Accept":"application/octet-stream"}
+    for asset in latest['assets']:
+        if asset['name'].endswith('whl'):
+            print('Downloading %s' % (asset['name']))
+            localfile = os.path.join('pace_wheelhouse', asset['name'])
+            download_github(asset['url'], localfile, use_auth=False)
     if not test:
-        subprocess.run(['twine', 'upload', 'dist/*'])
+        subprocess.run(['twine', 'upload', 'pace_wheelhouse/*'])
 
 
 def get_parser():