From 5309f5dc24a26858e684f752c21beb10c277fc99 Mon Sep 17 00:00:00 2001 From: Aliaksandr Yakutovich Date: Fri, 8 Sep 2023 08:55:21 +0200 Subject: [PATCH 1/3] `CompResourcesWidget`: do not raise when computer test fails (#506) * Execute the test computer function with `subprocess.run` and check the result. * In case of failure, simply print the output and do not raise an exception. * Do not test if the computer's name is not provided or the computer doesn't exist. * Show testing output in the `ipw.HTML` widget instead of the `print` function. Co-authored-by: Daniel Hollas --- .../computational_resources.py | 44 ++++++++++++++----- 1 file changed, 33 insertions(+), 11 deletions(-) diff --git a/aiidalab_widgets_base/computational_resources.py b/aiidalab_widgets_base/computational_resources.py index f4acbc3ba..9e6f60a69 100644 --- a/aiidalab_widgets_base/computational_resources.py +++ b/aiidalab_widgets_base/computational_resources.py @@ -799,7 +799,7 @@ def observe_memory_per_machine(change): self.setup_button.on_click(self.on_setup_computer) test_button = ipw.Button(description="Test computer") test_button.on_click(self.test) - self._test_out = ipw.Output(layout=LAYOUT) + self._test_out = ipw.HTML(layout=LAYOUT) # Organize the widgets children = [ @@ -884,14 +884,18 @@ def _configure_computer_local(self, computer: orm.Computer, user: orm.User): def _run_callbacks_if_computer_exists(self, label): """Run things on an existing computer""" - try: - orm.Computer.objects.get(label=label) + if self._computer_exists(label): for function in self._on_setup_computer_success: function() + return True + return False + + def _computer_exists(self, label): + try: + orm.load_computer(label=label) except common.NotExistent: return False - else: - return True + return True def _validate_computer_settings(self): if self.label.value == "": # check computer label @@ -963,13 +967,31 @@ def on_setup_computer_success(self, function): self._on_setup_computer_success.append(function) def test(self, _=None): - with self._test_out: - clear_output() - print( - subprocess.check_output( - ["verdi", "computer", "test", "--print-traceback", self.label.value] - ).decode("utf-8") + if self.label.value == "": + self._test_out.value = "Please specify the computer name (for AiiDA)." + return False + elif not self._computer_exists(self.label.value): + self._test_out.value = ( + f"A computer called {self.label.value} does not exist." ) + return False + + self._test_out.value = '' + process_result = subprocess.run( + ["verdi", "computer", "test", "--print-traceback", self.label.value], + capture_output=True, + ) + + if process_result.returncode == 0: + self._test_out.value = process_result.stdout.decode("utf-8").replace( + "\n", "
" + ) + return True + else: + self._test_out.value = process_result.stderr.decode("utf-8").replace( + "\n", "
" + ) + return False def _reset(self): self.label.value = "" From 7afc30012833fdb60228b44281fdf8fb290491a7 Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Fri, 8 Sep 2023 11:03:56 +0100 Subject: [PATCH 2/3] Fix Warning coming from ProcessFollowerWidget (#512) We were passing a wrong thing to the ProcessMonitor constructor, but because it was just ignored as an extra keyword argument, it did not manifest as an actual bug. The functionality itself worked because we were passing the process uuid by linking the traitlets via `dlink()`. * Longer default timeout in ProcessFollowerWidget --------- Co-authored-by: Jusong Yu --- aiidalab_widgets_base/process.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/aiidalab_widgets_base/process.py b/aiidalab_widgets_base/process.py index 4501b7884..ffb6c9efa 100644 --- a/aiidalab_widgets_base/process.py +++ b/aiidalab_widgets_base/process.py @@ -261,7 +261,7 @@ def __init__( self, process=None, followers=None, - update_interval=0.1, + update_interval=1.0, path_to_root="../", **kwargs, ): @@ -302,7 +302,6 @@ def follow(self, detach=False): if self._monitor is None: self._monitor = ProcessMonitor( - process=self.process, callbacks=[self.update], on_sealed=self._run_after_completed, timeout=self.update_interval, From 2c29a9eac70e9f0773fd93165daccc14c304919b Mon Sep 17 00:00:00 2001 From: Jusong Yu Date: Fri, 8 Sep 2023 15:31:10 +0200 Subject: [PATCH 3/3] DOC: re-strucuture the doc folder (#514) * Re-organize the documentation * Add the AiiDAlab logo * Use pydata css * Update readthedocs.yml * Add strict failed when warnings * Bump OPTIMADE-client version * Resolve warnings in doc build --- .readthedocs.yml | 19 +++---- aiidalab_widgets_base/bug_report.py | 22 ++++---- .../computational_resources.py | 8 +-- docs/Makefile | 50 ++++++------------ docs/source/_static/aiidalab_logo.png | Bin 0 -> 103940 bytes docs/source/conf.py | 14 ++--- docs/source/widget-list/index.rst | 4 +- notebooks/computational_resources.ipynb | 8 +++ setup.cfg | 13 +++-- 9 files changed, 63 insertions(+), 75 deletions(-) create mode 100644 docs/source/_static/aiidalab_logo.png diff --git a/.readthedocs.yml b/.readthedocs.yml index 0a01bb60e..1d335c1ab 100644 --- a/.readthedocs.yml +++ b/.readthedocs.yml @@ -1,25 +1,26 @@ --- -# .readthedocs.yaml -# Read the Docs configuration file +# Read the Docs configuration file for Sphinx projects # See https://docs.readthedocs.io/en/stable/config-file/v2.html for details # Required version: 2 -# Set the version of Python and other tools you might need +# Set the OS, Python version and other tools you might need build: - os: ubuntu-20.04 + os: ubuntu-22.04 tools: python: '3.10' -# Build documentation in the docs/ directory with Sphinx +# Build documentation in the "docs/" directory with Sphinx sphinx: configuration: docs/source/conf.py + builder: html + # Let the build fail if there are any warnings + fail_on_warning: true -# If using Sphinx, optionally build your docs in additional formats such as PDF -# formats: -# - pdf - +# Optional but recommended, declare the Python requirements required +# to build your documentation +# See https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html python: install: - method: pip diff --git a/aiidalab_widgets_base/bug_report.py b/aiidalab_widgets_base/bug_report.py index a37eb681c..5a4944814 100644 --- a/aiidalab_widgets_base/bug_report.py +++ b/aiidalab_widgets_base/bug_report.py @@ -147,16 +147,18 @@ def install_create_github_issue_exception_handler(output, url, labels=None): Example: -------- - ```python - output = ipw.Output() - install_create_github_issue_exception_handler( - output, - url='https://github.com/aiidalab/aiidalab-qe/issues/new', - labels=('bug', 'automated-report')) - - with output: - display(welcome_message, app_with_work_chain_selector, footer) - ``` + .. highlight:: python + .. code-block:: python + + output = ipw.Output() + install_create_github_issue_exception_handler( + output, + url='https://github.com/aiidalab/aiidalab-qe/issues/new', + labels=('bug', 'automated-report')) + + with output: + display(welcome_message, app_with_work_chain_selector, footer) + """ global _ORIGINAL_EXCEPTION_HANDLER diff --git a/aiidalab_widgets_base/computational_resources.py b/aiidalab_widgets_base/computational_resources.py index 9e6f60a69..8a68cce51 100644 --- a/aiidalab_widgets_base/computational_resources.py +++ b/aiidalab_widgets_base/computational_resources.py @@ -1224,12 +1224,8 @@ class ComputerDropdownWidget(ipw.VBox): """Widget to select a configured computer. Attributes: - value(computer UUID): Trait that points to the selected Computer instance. - It can be set to an AiiDA Computer UUID. It is linked to the - 'value' trait of `self._dropdown` widget. - computers(Dict): Trait that contains a dictionary (label => Computer UUID) for all - computers found in the AiiDA database. It is linked to the 'options' trait of - `self._dropdown` widget. + value(computer UUID): Trait that points to the selected Computer instance. It can be set to an AiiDA Computer UUID. It is linked to the 'value' trait of `self._dropdown` widget. + computers(Dict): Trait that contains a dictionary (label => Computer UUID) for all computers found in the AiiDA database. It is linked to the 'options' trait of `self._dropdown` widget. allow_select_disabled(Bool): Trait that defines whether to show disabled computers. """ diff --git a/docs/Makefile b/docs/Makefile index 218b9cf4c..e8de94c3b 100644 --- a/docs/Makefile +++ b/docs/Makefile @@ -1,41 +1,23 @@ -# Makefile for Sphinx documentation +# Minimal makefile for Sphinx documentation # -# You can set these variables from the command line. -SPHINXOPTS = -SPHINXBUILD = sphinx-build -PAPER = +# You can set these variables from the command line, and also +# from the environment for the first two. +SPHINXOPTS ?= +SPHINXBUILD ?= sphinx-build +SOURCEDIR = source BUILDDIR = build -# User-friendly check for sphinx-build -ifeq ($(shell which $(SPHINXBUILD) >/dev/null 2>&1; echo $$?), 1) -$(error The '$(SPHINXBUILD)' command was not found. Make sure you have Sphinx installed, then set the SPHINXBUILD environment variable to point to the full path of the '$(SPHINXBUILD)' executable. Alternatively you can add the directory with the executable to your PATH. If you don't have Sphinx installed, grab it from http://sphinx-doc.org/) -endif +# Put it first so that "make" without argument is like "make help". +help: + @$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) -# Internal variables. -PAPEROPT_a4 = -D latex_paper_size=a4 -PAPEROPT_letter = -D latex_paper_size=letter -ALLSPHINXOPTS = -n -d $(BUILDDIR)/doctrees $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) source -# the i18n builder cannot share the environment and doctrees with the others -I18NSPHINXOPTS = $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) source +.PHONY: help Makefile -.PHONY: all help clean html dirhtml singlehtml pickle json htmlhelp qthelp devhelp epub latex latexpdf text man changes linkcheck doctest coverage gettext customdefault +# Catch-all target: route all unknown targets to Sphinx using the new +# "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS). +%: Makefile + @$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) -## Runs with nitty-pick and converting warnings into errors to -## make sure the documentation is properly written -customdefault: - $(SPHINXBUILD) -b html -nW $(ALLSPHINXOPTS) $(BUILDDIR)/html - -all: html - -clean: - rm -r $(BUILDDIR) - -html: - $(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html - @echo - @echo "Build finished. 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paths that contain templates here, relative to this directory. templates_path = ["_templates"] @@ -92,6 +87,13 @@ html_theme = "pydata_sphinx_theme" +# The pydata-sphinx-theme already loads the bootstrap css. +panels_add_bootstrap_css = False + +# The name of an image file (relative to this directory) to place at the top +# of the sidebar. +html_logo = "_static/aiidalab_logo.png" + # -- Modifications for Readthedocs ---------------------------------------- diff --git a/docs/source/widget-list/index.rst b/docs/source/widget-list/index.rst index 6c4f0d43c..71ca43782 100644 --- a/docs/source/widget-list/index.rst +++ b/docs/source/widget-list/index.rst @@ -12,9 +12,7 @@ See also the `corresponding git repository =2021.09.2 scikit-learn~=1.0.0 +docs = + sphinx + sphinx-design + pydata-sphinx-theme + myst-nb + [flake8] ignore =