aiida-core[atomic_tools]<2.0.0,>=1.3.0
lxml~=4.8
numpy>=1.16.4,~=1.16
sympy
masci-tools>=0.9.1,~=0.9.0
future
pyhull
more_itertools
sqlalchemy<1.4
MarkupSafe<2.1.0

[docs]
sphinx~=4.0
sphinx_rtd_theme
sphinx-click
myst-parser~=0.15.2

[graphs ]
matplotlib
masci-tools[bokeh-plots]

[pre-commit]
pre-commit>=2.6.0
yapf~=0.30
pylint>=2.5

[testing]
pytest>=2.9
pytest-timeout
pytest-cov>=2.5.0
pytest-mpl>=0.12
pgtest
pytest-regressions>=1.0
