mendeleev045-mamba141

mendeleev

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

Source Specifications

• Developers: Mendeleev Contributors

• Source: lmmentel/mendeleev

• Documentation: https://mendeleev.readthedocs.io/en/stable/index.html

MolSSI Container Hub Specifications

• Repository: https://hub.docker.com/r/molssi/mendeleev045-mamba141

• Tags: https://hub.docker.com/r/molssi/mendeleev045-mamba141/tags

• Source: molssi/molssi-hub

• Recipe: molssi/molssi-hub

• Image pull command:

  docker pull molssi/mendeleev045-mamba141:latest
  

• Container run command:

  docker run -it --name mendeleev -v $(pwd):/home molssi/mendeleev045-mamba141:latest /bin/bash
  

Note

By default, the -v $(pwd):/home option mounts the current working directory to /home in your running container. Doing so, the contents of your current working directory become available in your running container. If you do not wish this to happen, you may simply remove or change this option.

Image Specifications

• OS/Arch: debian:bullseye-slim (linux/amd64, linux/arm64)

• Users (UID): root (0)

• Groups (GID): root (0)

• Environment variables:

  • CONDA_PREFIX: /opt/conda

  • PATH: ${CONDA_PREFIX}/bin:$PATH

• Volumes: None

• Network: None

• Extras:

  • Added directories: None

  • Important packages installed: mamba 1.4.1