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268 lines (256 loc) · 5.31 KB
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# conda-lock.yml — Reproducible conda environment for Helicon
# Generated for: macOS (Apple Silicon, arm64) and Linux (x86_64)
#
# To create the environment:
# conda install -n base -c conda-forge conda-lock
# conda-lock install --name helicon conda-lock.yml
#
# To regenerate from environment.yml:
# conda-lock lock --file environment.yml --platform linux-64 --platform osx-arm64
#
# NOTE: This file pins core scientific dependencies for reproducibility.
# MLX is Apple Silicon only and must be installed via pip after conda setup.
# WarpX must be installed separately (see docs/guide/install.md).
version: 1
metadata:
content_hash:
linux-64: sha256:placeholder-regenerate-with-conda-lock
osx-arm64: sha256:placeholder-regenerate-with-conda-lock
channels:
- url: https://conda.anaconda.org/conda-forge
used_env_vars: []
platforms:
- linux-64
- osx-arm64
sources:
- environment.yml
time_stamp: "2026-03-02T00:00:00Z"
package:
# Core Python
- platform: linux-64
name: python
version: "3.12.0"
manager: conda
channel: conda-forge
dependencies: {}
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: python
version: "3.12.0"
manager: conda
channel: conda-forge
dependencies: {}
hash:
md5: placeholder
sha256: placeholder
# NumPy
- platform: linux-64
name: numpy
version: "1.26.4"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: numpy
version: "1.26.4"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
# SciPy
- platform: linux-64
name: scipy
version: "1.12.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: scipy
version: "1.12.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
hash:
md5: placeholder
sha256: placeholder
# h5py
- platform: linux-64
name: h5py
version: "3.10.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: h5py
version: "3.10.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
hash:
md5: placeholder
sha256: placeholder
# Pydantic
- platform: linux-64
name: pydantic
version: "2.6.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: pydantic
version: "2.6.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
# PyYAML
- platform: linux-64
name: pyyaml
version: "6.0.1"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: pyyaml
version: "6.0.1"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
# Click (CLI)
- platform: linux-64
name: click
version: "8.1.7"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: click
version: "8.1.7"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
# scikit-learn (GP surrogate)
- platform: linux-64
name: scikit-learn
version: "1.4.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
scipy: ">=1.10"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: scikit-learn
version: "1.4.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
scipy: ">=1.10"
hash:
md5: placeholder
sha256: placeholder
# Matplotlib
- platform: linux-64
name: matplotlib-base
version: "3.8.2"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: matplotlib-base
version: "3.8.2"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
numpy: ">=1.24"
hash:
md5: placeholder
sha256: placeholder
# Pytest (dev)
- platform: linux-64
name: pytest
version: "8.0.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
- platform: osx-arm64
name: pytest
version: "8.0.0"
manager: conda
channel: conda-forge
dependencies:
python: ">=3.11"
hash:
md5: placeholder
sha256: placeholder
# NOTE: The following must be installed separately after conda env creation:
#
# pip packages (not on conda-forge):
# pip install helicon
# pip install "helicon[mlx]" # Apple Silicon only
# pip install "helicon[botorch]" # Bayesian optimization
#
# WarpX (separate install):
# conda install -c conda-forge warpx # CPU/OpenMP
# # For CUDA: conda install -c conda-forge warpx=*=mpi_openmpi_cuda*