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Author:
None
Summary:
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
Latest version:
2.5.1
Required dependencies:
aio-pika
|
alembic
|
archive-path
|
circus
|
click
|
click-spinner
|
disk-objectstore
|
docstring-parser
|
get-annotations
|
graphviz
|
importlib-metadata
|
ipython
|
jedi
|
jinja2
|
kiwipy
|
numpy
|
paramiko
|
pgsu
|
plumpy
|
psutil
|
psycopg2-binary
|
pydantic
|
pytz
|
pyyaml
|
requests
|
sqlalchemy
|
tabulate
|
tqdm
|
upf_to_json
|
wrapt
Optional dependencies:
aiida-export-migration-tests
|
ase
|
bpython
|
coverage
|
docutils
|
flask
|
flask-cors
|
flask-restful
|
gssapi
|
jupyter
|
jupyter-client
|
matplotlib
|
mypy
|
myst-nb
|
notebook
|
packaging
|
pg8000
|
pgtest
|
pre-commit
|
pyasn1
|
pycifrw
|
pydata-sphinx-theme
|
pymatgen
|
pympler
|
pymysql
|
pyparsing
|
pytest
|
pytest-asyncio
|
pytest-benchmark
|
pytest-cov
|
pytest-regressions
|
pytest-rerunfailures
|
pytest-timeout
|
python-memcached
|
seekpath
|
spglib
|
sphinx
|
sphinx-copybutton
|
sphinx-design
|
sphinx-intl
|
sphinx-notfound-page
|
sphinx-sqlalchemy
|
sphinxext-rediraffe
|
sqlalchemy
|
tomli
|
trogon
|
types-pyyaml
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