dependencies.yaml

# # Conda dependencies for dxtbx on all platforms.
#
# This file is interpreted by bootstrap. it uses a HIGHLY limited subset of
# yaml and conda-build selector preprocessing. As such, the file itself is not
# YAML without at minimum preprocessing, and may need full conda-build
# templating to be parseable as yaml directly.
#
# ## Splitting Dependencies
#
# Dependencies are now split here into the categories of build, host, run, as
# per https://docs.conda.io/projects/conda-build/en/latest/resources/define-metadata.html#requirements-section
#
# Briefly,
# - `build` is for build and development tools
# - `host` is complicated, but can broadly be considered "build-time"
#   dependencies that are expected to be present on the targeted platform.
#   Please see above conda-build documentation for details, but if you are
#   unsure where a dependency goes, it's probably safest to put it here.
# - `run` are dependencies not used at build-time, but are required for
#   running. Most pure-python packages go here.
# - `test` are dependencies only used to run tests.
#
# ## Filtering dependencies by platform and target
#
# Before use (by bootstrap OR conda), this file is passed through a
# preprocessor. This handles all lines of the form `#[expr]`, and each
# line is filtered out on a line-by-line basis if the expression
# evaluates to false.
#
# Only the last `# [expression]` is stripped and evaluated, which allows
# passing further selection expressions through for onward processing.
#
# Expression values supported:
# - Platform e.g. `osx`, `win` or `linux`
# - `bootstrap`: Whether we are targeting bootstrap.py. This allows us
#   to have advanced conda-build syntax (e.g. jinja templates) while
#   ignoring these when generating the bootstrap dependency list.
# - `prebuilt_cctbx`: Whether we are building cctbx. This is true for
#   bootstrap with CMake and for conda-build builds.
# - Compound expressions with `and` e.g. `osx and bootstrap`. This will
#   work with `not`-expressions, but nothing more complex.
#

build:
  - cmake # [prebuilt_cctbx]
  - ninja # [prebuilt_cctbx]
  - python # [build_platform != target_platform] # [not bootstrap]
  - cross-python_{{ target_platform }} # [build_platform != target_platform] # [not bootstrap]
  - numpy # [build_platform != target_platform] # [not bootstrap]
  - pybind11 # [build_platform != target_platform] # [not bootstrap]
  - {{ compiler('cxx') }} # [not bootstrap]
  - {{ stdlib('c') }} # [not bootstrap]
  - cxx-compiler # [bootstrap]
  - hatchling

host:
  - cctbx-base # [prebuilt_cctbx and bootstrap]
  - cctbx-base >=2024 # [not bootstrap]
  - hdf5
  - libboost-devel
  - libboost-python-devel
  - numpy >=1.21.5,<2 #[bootstrap]
  - numpy  # [not bootstrap]
  - pip
  - pybind11
  - python

run:
  - {{ pin_compatible('cctbx-base') }} # [not bootstrap]
  - {{ pin_compatible('hdf5') }} # [not bootstrap]
  - h5py >=3.1.0
  - hdf5plugin
  - matplotlib-base >=3.0.2
  - mrcfile
  - natsort
  - {{ pin_compatible('numpy') }} # [not bootstrap]
  - nxmx >=0.0.4
  - orderedset
  - pint
  - pycbf # [prebuilt_cctbx]
  - python
  - python-dateutil >=2.7.0
  - scipy
  - tqdm

test:
  - dials-data
  - pip
  - pytest
  - pytest-mock
  - pytest-nunit # [win]
  - pytest-xdist