CI: Support for Python 3.9

.github/workflows/test-install.yml

@@ -25,10 +25,10 @@ jobs:
     steps:
     - uses: actions/checkout@v2
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v2
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install dm-script dependencies
       run: pip install packaging==20.3 click~=7.0 pyyaml~=5.1 tomlkit
@@ -52,6 +52,8 @@ jobs:
     steps:
     - uses: actions/checkout@v2
 
+      # Set to Python version 3.8, as the installation with 3.9 still takes
+      # significantly longer to install.
     - name: Set up Python 3.8
       uses: actions/setup-python@v2
       with:
@@ -89,8 +91,9 @@ jobs:
     - name: Setup Conda
       uses: s-weigand/setup-conda@v1
       with:
-        update-conda: true
-        python-version: 3.8
+        python-version: 3.9
+        update-conda: false
+        conda-channels: conda-forge
     - run: conda --version
     - run: python --version
     - run: which python
@@ -110,12 +113,12 @@ jobs:
 
     needs: [install-with-pip, install-with-conda]
     runs-on: ubuntu-latest
-    timeout-minutes: 30
+    timeout-minutes: 35
 
     strategy:
       fail-fast: false
       matrix:
-        python-version: [3.6, 3.7, 3.8]
+        python-version: [3.6, 3.7, 3.8, 3.9]
         backend: ['django', 'sqlalchemy']
 
     services:
@@ -198,10 +201,10 @@ jobs:
     steps:
     - uses: actions/checkout@v2
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v2
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install dm-script dependencies
       run: pip install packaging==20.3 click~=7.0 pyyaml~=5.1 tomlkit

pyproject.toml

@@ -76,24 +76,26 @@ envlist = py37-django
 [testenv]
 usedevelop=True
 
-[testenv:py{36,37,38}-{django,sqla}]
+[testenv:py{36,37,38,39}-{django,sqla}]
 deps =
     py36: -rrequirements/requirements-py-3.6.txt
     py37: -rrequirements/requirements-py-3.7.txt
     py38: -rrequirements/requirements-py-3.8.txt
+    py39: -rrequirements/requirements-py-3.9.txt
 setenv =
     django: AIIDA_TEST_BACKEND = django
     sqla: AIIDA_TEST_BACKEND = sqlalchemy
 commands = pytest {posargs}
 
-[testenv:py{36,37,38}-docs-{clean,update}]
+[testenv:py{36,37,38,39}-docs-{clean,update}]
 description =
     clean: Build the documentation (remove any existing build)
     update: Build the documentation (modify any existing build)
 deps =
     py36: -rrequirements/requirements-py-3.6.txt
     py37: -rrequirements/requirements-py-3.7.txt
     py38: -rrequirements/requirements-py-3.8.txt
+    py38: -rrequirements/requirements-py-3.9.txt
 passenv = RUN_APIDOC
 setenv =
     update: RUN_APIDOC = False
@@ -103,13 +105,14 @@ commands =
     clean: make clean
     make debug
 
-[testenv:py{36,37,38}-docs-live]
+[testenv:py{36,37,38,39}-docs-live]
 # tip: remove apidocs before using this feature (`cd docs; make clean`)
 description = Build the documentation and launch browser (with live updates)
 deps =
     py36: -rrequirements/requirements-py-3.6.txt
     py37: -rrequirements/requirements-py-3.7.txt
     py38: -rrequirements/requirements-py-3.8.txt
+    py39: -rrequirements/requirements-py-3.9.txt
     sphinx-autobuild
 setenv =
     RUN_APIDOC = False
@@ -119,7 +122,7 @@ commands =
         --port 0 --open-browser \
         -n -b {posargs:html} docs/source/ docs/build/{posargs:html}
 
-[testenv:py{36,37,38}-pre-commit]
+[testenv:py{36,37,38,39}-pre-commit]
 description = Run the pre-commit checks
 extras = all
 commands = pre-commit run {posargs}

requirements/requirements-py-3.9.txt

@@ -0,0 +1,158 @@
+aiida-export-migration-tests==0.9.0
+alabaster==0.7.12
+aldjemy==0.9.1
+alembic==1.4.3
+aniso8601==8.0.0
+ase==3.20.1
+attrs==20.2.0
+Babel==2.8.0
+backcall==0.2.0
+bcrypt==3.2.0
+bleach==3.2.1
+certifi==2020.6.20
+cffi==1.14.3
+chardet==3.0.4
+circus==0.16.1
+click==7.1.2
+click-completion==0.5.2
+click-config-file==0.6.0
+click-spinner==0.1.10
+configobj==5.0.6
+coverage==4.5.4
+cryptography==3.2.1
+cycler==0.10.0
+decorator==4.4.2
+defusedxml==0.6.0
+Django==2.2.17
+docutils==0.15.2
+entrypoints==0.3
+ete3==3.1.2
+Flask==1.1.2
+Flask-Cors==3.0.9
+Flask-RESTful==0.3.8
+frozendict==1.2
+furl==2.1.0
+future==0.18.2
+graphviz==0.14.2
+idna==2.10
+imagesize==1.2.0
+iniconfig==1.1.1
+ipykernel==5.3.4
+ipython==7.19.0
+ipython-genutils==0.2.0
+ipywidgets==7.5.1
+itsdangerous==1.1.0
+jedi==0.17.2
+Jinja2==2.11.2
+jsonschema==3.2.0
+jupyter==1.0.0
+jupyter-client==6.1.7
+jupyter-console==6.2.0
+jupyter-core==4.6.3
+kiwipy==0.5.5
+kiwisolver==1.3.1
+Mako==1.1.3
+MarkupSafe==1.1.1
+matplotlib==3.3.2
+mistune==0.8.4
+monty==4.0.2
+mpmath==1.1.0
+nbconvert==5.6.1
+nbformat==5.0.8
+networkx==2.5
+notebook==5.7.10
+numpy==1.19.4
+orderedmultidict==1.0.1
+packaging==20.4
+palettable==3.3.0
+pandas==1.1.4
+pandocfilters==1.4.3
+paramiko==2.7.2
+parso==0.7.1
+pexpect==4.8.0
+pg8000==1.16.6
+pgsu==0.1.0
+pgtest==1.3.2
+pickleshare==0.7.5
+pika==1.1.0
+Pillow==8.0.1
+plotly==4.12.0
+pluggy==0.13.1
+plumpy==0.15.1
+prometheus-client==0.8.0
+prompt-toolkit==3.0.8
+psutil==5.7.3
+psycopg2-binary==2.8.6
+ptyprocess==0.6.0
+py==1.9.0
+py-cpuinfo==7.0.0
+PyCifRW==4.4.1
+pycparser==2.20
+pydata-sphinx-theme==0.4.1
+Pygments==2.7.2
+pymatgen==2020.10.20
+PyMySQL==0.9.3
+PyNaCl==1.4.0
+pyparsing==2.4.7
+pyrsistent==0.17.3
+pytest==6.1.2
+pytest-benchmark==3.2.3
+pytest-cov==2.10.1
+pytest-rerunfailures==9.1.1
+pytest-timeout==1.4.2
+python-dateutil==2.8.1
+python-editor==1.0.4
+python-memcached==1.59
+pytz==2019.3
+PyYAML==5.1.2
+pyzmq==19.0.2
+qtconsole==4.7.7
+QtPy==1.9.0
+reentry==1.3.1
+requests==2.24.0
+retrying==1.3.3
+ruamel.yaml==0.16.12
+scipy==1.5.3
+scramp==1.2.0
+seekpath==1.9.7
+Send2Trash==1.5.0
+shellingham==1.3.2
+shortuuid==1.0.1
+simplejson==3.17.2
+six==1.15.0
+snowballstemmer==2.0.0
+spglib==1.16.0
+Sphinx==3.3.0
+sphinx-copybutton==0.3.1
+sphinx-notfound-page==0.5
+sphinx-panels==0.5.2
+sphinxcontrib-applehelp==1.0.2
+sphinxcontrib-details-directive==0.1.0
+sphinxcontrib-devhelp==1.0.2
+sphinxcontrib-htmlhelp==1.0.3
+sphinxcontrib-jsmath==1.0.1
+sphinxcontrib-qthelp==1.0.3
+sphinxcontrib-serializinghtml==1.1.4
+sphinxext-rediraffe==0.2.4
+SQLAlchemy==1.3.20
+sqlalchemy-diff==0.1.3
+SQLAlchemy-Utils==0.34.2
+sqlparse==0.4.1
+sympy==1.6.2
+tabulate==0.8.7
+terminado==0.9.1
+testpath==0.4.4
+toml==0.10.2
+topika==0.2.2
+tornado==4.5.3
+tqdm==4.51.0
+traitlets==5.0.5
+tzlocal==2.1
+uncertainties==3.1.4
+upf-to-json==0.9.2
+urllib3==1.25.11
+wcwidth==0.2.5
+webencodings==0.5.1
+Werkzeug==1.0.1
+widgetsnbextension==3.5.1
+wrapt==1.11.2

setup.json

@@ -17,6 +17,7 @@
         "Programming Language :: Python :: 3.6",
         "Programming Language :: Python :: 3.7",
         "Programming Language :: Python :: 3.8",
+        "Programming Language :: Python :: 3.9",
         "Topic :: Scientific/Engineering"
     ],
     "install_requires": [