pyiron_base | Core components of the pyiron integrated development

 by   pyiron Python Version: pyiron_base-0.6.0 License: BSD-3-Clause

kandi X-RAY | pyiron_base Summary

kandi X-RAY | pyiron_base Summary

pyiron_base is a Python library typically used in Editor applications. pyiron_base has no bugs, it has no vulnerabilities, it has build file available, it has a Permissive License and it has low support. You can install using 'pip install pyiron_base' or download it from GitHub, PyPI.

Core components of the pyiron integrated development environment (IDE) for computational materials science
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            kandi-support Support

              pyiron_base has a low active ecosystem.
              It has 13 star(s) with 11 fork(s). There are 7 watchers for this library.
              There were 4 major release(s) in the last 12 months.
              There are 59 open issues and 162 have been closed. On average issues are closed in 64 days. There are 11 open pull requests and 0 closed requests.
              It has a neutral sentiment in the developer community.
              The latest version of pyiron_base is pyiron_base-0.6.0

            kandi-Quality Quality

              pyiron_base has no bugs reported.

            kandi-Security Security

              pyiron_base has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

            kandi-License License

              pyiron_base is licensed under the BSD-3-Clause License. This license is Permissive.
              Permissive licenses have the least restrictions, and you can use them in most projects.

            kandi-Reuse Reuse

              pyiron_base releases are available to install and integrate.
              Deployable package is available in PyPI.
              Build file is available. You can build the component from source.

            Top functions reviewed by kandi - BETA

            kandi has reviewed pyiron_base and discovered the below as its top functions. This is intended to give you an instant insight into pyiron_base implemented functionality, and help decide if they suit your requirements.
            • Return a dict of cmdclass to use
            • Create a ConfigParser instance from a root
            • Get the project root directory
            • Extract the version information from the VCS
            • Create an hdf5 table
            • Returns a list of job ids from the job table
            • Return the list of jobs that match the given filter function
            • Copy content of one HDF5 file to another
            • Open an hdf5 file
            • Copy a directory to a given archive
            • Convert a pyiron hdf5 file to a 4x04
            • Create an array from an HDF5 object
            • Return a pandas DataFrame containing all queues in the job table
            • Register a new atomistic job
            • Append a Job to the database
            • Adds a dictionary to the database
            • Create a JobWrapper for the given working directory
            • Convert to object
            • Returns a list of table names for the table
            • Initialize this JobJob from an hdf5 file
            • Create the versioneer config file
            • Register the command line options
            • Return a pandas dataframe
            • Start the job
            • Extract version information from VCS
            • Imports jobs from a given Project instance
            Get all kandi verified functions for this library.

            pyiron_base Key Features

            No Key Features are available at this moment for pyiron_base.

            pyiron_base Examples and Code Snippets

            No Code Snippets are available at this moment for pyiron_base.

            Community Discussions

            QUESTION

            User defined job type not available during calculation via SLURM
            Asked 2020-Oct-12 at 19:44

            I am trying to setup a pyiron calculation (version 0.3.6.). I want to execute a non-python script on a computer cluster via SLURM. I have written an own OwnProgramJob class, which inherits from the GenericJob class. Everything is running smoothly on my local computer. When running on the cluster, however, my own class is not available in pyiron:

            ...

            ANSWER

            Answered 2020-Oct-12 at 19:44

            For the job class to be available when submitting to the queuing system it is necessary that it is included in the python path. So I suggest splitting the class definition in a separate python module named ownprogramjob.py:

            Source https://stackoverflow.com/questions/64322699

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install pyiron_base

            You can install using 'pip install pyiron_base' or download it from GitHub, PyPI.
            You can use pyiron_base like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

            Support

            For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .
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