8000 Better dependency management for dev, standalone, and a Nomad install by sherjeelshabih · Pull Request #50 · FAIRmat-NFDI/pynxtools · GitHub
[go: up one dir, main page]
More Web Proxy on the site http://driver.im/
Skip to content

Better dependency management for dev, standalone, and a Nomad install #50

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
merged 28 commits into from
Oct 7, 2022
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
28 commits
Select commit Hold shift + click to select a range
80e3f0f
Added a pip-compile locked requirements for devs
sherjeelshabih Sep 22, 2022
883f2a9
Reverted nomad-lab install back
sherjeelshabih Sep 22, 2022
7ca811a
Fixed missing astroid version
sherjeelshabih Sep 22, 2022
6e6caf7
cleanup + ease on dev reqs
fekad Sep 22, 2022
bd9c506
Added a relaxed requirements.txt for installation with Nomad
sherjeelshabih Sep 23, 2022
b024465
Unrelaxed pyproject.toml dev reqs and reverted xarray to older version
sherjeelshabih Sep 23, 2022
08ecd31
Allowed python3.7 and fixed dask[array] version
sherjeelshabih Sep 26, 2022
5dd4ecc
Merge adapt-nexus-to-metainfo-changes and CI updates
sherjeelshabih Oct 4, 2022
757b67b
cleanup
fekad Oct 4, 2022
6c88980
Brought in requirements.txt
sherjeelshabih Oct 5, 2022
65ae9fb
draft refactoring and reorganizing of nomad-parser-nexus, decide firs…
mkuehbach Oct 5, 2022
ba06a32
renaming tools; adding and fixing unit tests
sanbrock Oct 5, 2022
23fe997
fix some linting issues
sanbrock Oct 5, 2022
82a591a
addig reference data for testing nexus checker
sanbrock Oct 5, 2022
26003fe
fixing linting issues; adding test reference file
sanbrock Oct 5, 2022
9d859e7
bringing Example to front
sanbrock Oct 6, 2022
c703f39
tested ipynb notebooks, added jupyterlab_h5web to the environment
mkuehbach Oct 6, 2022
8fe489c
improved descriptions, and placed jupyterlab in pyproject toml, teste…
mkuehbach Oct 6, 2022
38b7359
updating readme.md as a result of testing
mkuehbach Oct 6, 2022
267942f
Added nexus definitions to the module package
sanbrock Oct 6, 2022
611285c
fixing README files and the ipynb for APM
sanbrock Oct 6, 2022
ab49a4f
use dataconverter alias from command line
sanbrock Oct 6, 2022
328190d
harmonising EM and MPES notebooks
sanbrock Oct 6, 2022
2f7b358
Updated YAML file
cmmngr Oct 6, 2022
cc53f93
Updated jupyter notebook for ellipsometry + DAT and YAML file
cmmngr Oct 6, 2022
8bed7e7
Delete ELLIPSOMETRY.NeXus.READER.EXAMPLE.02.ipynb
cmmngr Oct 6, 2022
5e7d39b
Delete test.yaml
cmmngr Oct 6, 2022
7dfa20d
fix data file locations
sanbrock Oct 7, 2022
File filter

Filter by extension

Filter by extension


Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
14 changes: 7 additions & 7 deletions .github/workflows/pylint.yml
Original file line number Diff line number Diff line change
Expand Up @@ -16,21 +16,21 @@ jobs:
git submodule sync --recursive
git submodule update --init --recursive --jobs=4
python -m pip install --upgrade pip
pip install nomad-lab==1.1.3 --extra-index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
pip install astroid==2.5.1
- name: Install package
run: |
python -m pip install .
python -m pip install --no-deps .
- name: Install dev requirements
run: |
python -m pip install -r dev-requirements.txt
- name: pycodestyle
run: |
python -m pycodestyle --ignore=E501,E701,E731 nexusparser tests --exclude=nexusparser/definitions
python -m pycodestyle --ignore=E501,E701,E731 nexusutils tests --exclude=nexusutils/definitions
- name: pylint
run: |
python -m pylint --load-plugins=pylint_mongoengine,nomad.metainfo.pylint_plugin nexusparser tests
python -m pylint nexusutils tests
- name: mypy
run: |
python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional --exclude='nexusparser/definitions/' tests
python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional nexusutils tests
- name: Test with pytest
if: ${{ always() }}
run: |
Expand Down
197 changes: 197 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
@@ -1,7 +1,204 @@
# https://github.com/github/gitignore/blob/main/Global/macOS.gitignore
# General
.DS_Store
.AppleDouble
.LSOverride

# Icon must end with two \r
Icon


# Thumbnails
._*

# Files that might appear in the root of a volume
.DocumentRevisions-V100
.fseventsd
.Spotlight-V100
.TemporaryItems
.Trashes
.VolumeIcon.icns
.com.apple.timemachine.donotpresent

# Directories potentially created on remote AFP share
.AppleDB
.AppleDesktop
Network Trash Folder
Temporary Items
.apdisk

# https://github.com/github/gitignore/blob/main/Python.gitignore

# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class

# C extensions
*.so

# Distribution / packaging
.Python
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
share/python-wheels/
*.egg-info/
.installed.cfg
*.egg
MANIFEST

# PyInstaller
# Usually these files are written by a python script from a template
# before PyInstaller builds the exe, so as to inject date/other infos into it.
*.manifest
*.spec

# Installer logs
pip-log.txt
pip-delete-this-directory.txt

# Unit test / coverage reports
htmlcov/
.tox/
.nox/
.coverage
.coverage.*
.cache
nosetests.xml
coverage.xml
*.cover
*.py,cover
.hypothesis/
.pytest_cache/
cover/

# Translations
*.mo
*.pot

# Django stuff:
*.log
local_settings.py
db.sqlite3
db.sqlite3-journal

# Flask stuff:
instance/
.webassets-cache

# Scrapy stuff:
.scrapy

# Sphinx documentation
docs/_build/

# PyBuilder
.pybuilder/
target/

# Jupyter Notebook
.ipynb_checkpoints

# IPython
profile_default/
ipython_config.py

# pyenv
# For a library or package, you might want to ignore these files since the code is
# intended to run in multiple environments; otherwise, check them in:
# .python-version

# pipenv
# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
# However, in case of collaboration, if having platform-specific dependencies or dependencies
# having no cross-platform support, pipenv may install dependencies that don't work, or not
# install all needed dependencies.
#Pipfile.lock

# poetry
# Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
# This is especially recommended for binary packages to ensure reproducibility, and is more
# commonly ignored for libraries.
# https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
#poetry.lock

# pdm
# Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
#pdm.lock
# pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
# in version control.
# https://pdm.fming.dev/#use-with-ide
.pdm.toml

# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
__pypackages__/

# Celery stuff
celerybeat-schedule
celerybeat.pid

# SageMath parsed files
*.sage.py

# Environments
.env
.venv
env/
venv/
ENV/
env.bak/
venv.bak/

# Spyder project settings
.spyderproject
.spyproject

# Rope project settings
.ropeproject

# mkdocs documentation
/site

# mypy
.mypy_cache/
.dmypy.json
dmypy.json

# Pyre type checker
.pyre/

# pytype static type analyzer
.pytype/

# Cython debug symbols
cython_debug/

# PyCharm
# JetBrains specific template is maintained in a separate JetBrains.gitignore that can
# be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
# and can be added to the global gitignore or merged into this file. For a more nuclear
# option (not recommended) you can uncomment the following to ignore the entire idea folder.
#.idea/


# Custom settings

.mypy_cache/
.pyenv
*.pyc
*.txt
!requirements.txt
!dev-requirements.txt
build/
nexusparser.egg-info/PKG-INFO
.python-version
7 changes: 5 additions & 2 deletions .gitmodules
Original file line number Diff line number Diff line change
@@ -1,3 +1,6 @@
[submodule "nexusparser/definitions"]
path = nexusparser/definitions
[submodule "nexusutils/definitions"]
path = nexusutils/definitions
url = https://github.com/FAIRmat-Experimental/nexus_definitions.git
[submodule "nexusutils/nexus_definitions"]
path = nexusutils/definitions
url = https://github.com/FAIRmat-Experimental/nexus_definitions.git
2 changes: 1 addition & 1 deletion .vscode/settings.json
Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,7 @@
"python.linting.enabled": true,
"python.linting.pylintArgs": [
"--load-plugins=nomad.metainfo.pylint_plugin",
"nexusparser",
"nexusutils",
"tests"
],
"python.testing.pytestArgs": [
Expand Down
Loading
0