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Conda | Package Management in Python

Python Package Management and Conda

Mastering environment management, dependency resolution, and scientific computing workflows

1. Environment Management

Core Operations

conda create -n env_name Create new environment
conda create -n env_name python=3.9 Specify Python version
conda create --clone base --name cloned_env Clone existing environment
conda env export > environment.yml Export environment configuration
conda env create -f environment.yml Recreate environment from file

Advanced Control

# Create environment in specific location
conda create --prefix ./envs/project_env

# Remove unused packages
conda update --all --prune

# List all environments and their locations
conda info --envs

# Set environment variables
conda env config vars set MY_VAR=value

Best Practices

  • Naming conventions: Use descriptive names (e.g., data-science-py39)
  • Directory structure:
    project/
    ├── envs/ # Local environments
    ├── environment.yml
    └── src/
  • Size optimization: Regularly clean unused packages (conda clean --all)

Pro Tip: Use conda env export --from-history for minimal environment files that only include packages you explicitly installed.

2. Channel Management

Fundamentals

# Add conda-forge as primary channel
conda config --add channels conda-forge

# Set strict channel priority
conda config --set channel_priority strict

# View current channel configuration
conda config --show channels

Advanced Topics

# Add private channel
conda config --add channels https://private.repo.com/channel

# Create local channel mirror
conda index ./local-channel/linux-64

Pinning packages

# .condarc
channels:
  - conda-forge
  - defaults

# Pin specific package versions
pin_run_as_build:
  python: 3.9.*
  numpy: 1.21.*

Security & Performance

  • Verify channel SSL certificates with conda config --set ssl_verify true
  • Use conda list --show-channel-urls to detect channel conflicts
  • Configure local caching with conda config --set use_only_tar_bz2 true

3. Conda vs Pip

Feature Comparison

Aspect Conda Pip
Non-Python Dependencies ✅ Handles binaries (C libs) ❌ Python-only
Environment Isolation ✅ Built-in ❌ Needs venv/virtualenv
Dependency Resolution ✅ More robust ❌ Can conflict
Pure Python Packages ⏳ Slower installs ✅ Faster
Reproducibility ✅ environment.yml ❌ Requires pip-tools

Interoperability

# Using pip inside Conda (when necessary)
conda install pip
pip install package --no-deps  # Minimize conflicts

# Convert requirements.txt to Conda format
conda install --file requirements.txt

When to Use Which

  • Conda: Data science stacks, packages with binary dependencies (NumPy, SciPy, TensorFlow)
  • Pip: Pure Python packages, web frameworks (Django, Flask)
  • Hybrid: Use Conda for base environment, pip for Python-only packages

Warning: Mixing Conda and pip in the same environment can lead to dependency conflicts. Always install as many requirements as possible with Conda first, then use pip sparingly.

4. Dependency Management

Advanced Resolution

# Troubleshoot conflicts
conda search package --info
conda install package --dry-run

# Freeze currently installed versions
conda install --freeze-installed

# Force reinstall package
conda install package --force-reinstall

Reproducibility

# Exact environment specification
conda list --explicit > spec-file.txt
conda create --name new_env --file spec-file.txt

# Create portable environment
conda pack -n my_env -o my_env.tar.gz

# Docker integration example
FROM continuumio/miniconda3
COPY environment.yml .
RUN conda env create -f environment.yml
ENV PATH /opt/conda/envs/my_env/bin:$PATH

Reproducibility Tip: For production deployments, use conda-lock to generate fully deterministic environment specifications.

5. Performance Optimization

Faster Operations

# Parallel downloads (default in newer versions)
conda install -q package  # Quiet mode reduces output

# Use Mamba for faster resolution
conda install -n base -c conda-forge mamba
mamba install numpy pandas

# Clean caches
conda clean --all

Configuration Tweaks

# .condarc
channels:
  - conda-forge
  - defaults
channel_priority: strict
sat_solver: libmamba
always_yes: true
auto_update_conda: false

6. Edge Cases & Troubleshooting

Issue Solution
SSL errors in corporate environments conda config --set ssl_verify false (temporarily)
Inconsistent environment states conda update --all or recreate environment
CondaHTTPError Check proxy settings, try different mirror
Slow dependency resolution Switch to Mamba or reduce channel count
Environment activation issues conda init then restart shell

Additional Tools

  • conda-tree: Visualize dependency trees
  • conda-verify: Validate package integrity
  • conda-build: Create custom Conda packages

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