View cclib on Snyk Open Source Advisor

Package Health Score

65 / 100

security
Security review needed
popularity
Small
maintenance
Sustainable
community
Sustainable

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Popularity

Small

GitHub Stars: 339
Forks: 170
Contributors: 70

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package cclib, we found that it has been starred 339 times.

Security

Security review needed

Security and license risk for latest version

Release Date: Mar 18, 2024
Direct Vulnerabilities: 0
C
0
H
0
M
0
L
Indirect Vulnerabilities: 0
C
0
H
0
M
0
L
License Risk: 0
H
0
M
0
L

All security vulnerabilities belong to production dependencies of direct and indirect packages.

License

BSD-3-Clause

Security Policy

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Maintenance

Sustainable

Commit Frequency

Open Issues: 163
Open PR: 21
Last Release: 9 months ago
Last Commit: 5 days ago

Further analysis of the maintenance status of cclib based on released PyPI versions cadence, the repository activity, and other data points determined that its maintenance is Sustainable.

We found that cclib demonstrates a positive version release cadence with at least one new version released in the past 12 months.

As a healthy sign for on-going project maintenance, we found that the GitHub repository had at least 1 pull request or issue interacted with by the community.

Community

Sustainable

Readme: Yes
Contributing.md: No
Code of Conduct: No
Contributors: 70
Funding: No

With more than 10 contributors for the cclib repository, this is possibly a sign for a growing and inviting community.

We found a way for you to contribute to the project! Looks like cclib is missing a Code of Conduct.

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Package

Python Versions Compatibility: >=3.7

Age: 19 years
Latest Release: 8 months ago
Dependencies: 4 Direct / 5 Total
Versions: 34
Maintainers: 5
Wheels: OS Independent

Not sure how to use cclib?

To help you get started, we've collected the most common ways that cclib is being used within popular public projects.

cclib / cclib / cclib / parser / psi4parser.py View on Github

def _parse_mosyms_moenergies(self, inputfile, spinidx):
        """Parse molecular orbital symmetries and energies from the
        'Post-Iterations' section.
        """
        line = next(inputfile)
        while line.strip():
            for i in range(len(line.split()) // 2):
                self.mosyms[spinidx].append(line.split()[i*2][-2:])
                moenergy = utils.convertor(float(line.split()[i*2+1]), "hartree", "eV")
                self.moenergies[spinidx].append(moenergy)
            line = next(inputfile)
        return

View more ways to use cclib

cclib dependencies

numpy packaging periodictable scipy

FAQs

What is cclib?

parsers and algorithms for computational chemistry. Visit Snyk Advisor to see a full health score report for cclib, including popularity, security, maintenance & community analysis.

Is cclib popular?

The python package cclib receives a total of 4,896 weekly downloads. As such, cclib popularity was classified as small. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is cclib well maintained?

We found indications that cclib maintenance is sustainable demonstrating some project activity. We saw a total of 70 open source contributors collaborating on the project. See the full package health analysis to learn more about the package maintenance status.

Is cclib safe to use?

While scanning the latest version of cclib, we found that a security review is needed. A total of 0 vulnerabilities or license issues were detected. See the full security scan results.

Last updated on 21 December-2024, at 20:33 (UTC).

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cclib

parsers and algorithms for computational chemistry For more information about how to use this package see README

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