https://bugzilla.redhat.com/show_bug.cgi?id=2418590
Bug ID: 2418590
Summary: Review Request: perl-Chemistry-File-Mopac - MOPAC 6
input file reader/writer
Product: Fedora
Version: rawhide
Hardware: All
OS: Linux
Status: NEW
Component: Package Review
Severity: medium
Priority: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Target Milestone: ---
Classification: Fedora
Spec URL:
https://rathann.fedorapeople.org/review/perl-Chemistry-File-Mopac/perl-Chemistry-File-Mopac.spec
SRPM URL:
https://rathann.fedorapeople.org/review/perl-Chemistry-File-Mopac/perl-Chemistry-File-Mopac-0.15-1.fc44.src.rpm
Description:
This module reads and writes MOPAC 6 input files. It can handle both
internal coordinates and cartesian coordinates. It also extracts
molecules from summary files, defined as those files that match /SUMMARY
OF/ in the third line. Perhaps a future version will extract additional
information such as the energy and dipole from the summary file.
This module registers the mop format with Chemistry::Mol. For detection
purposes, it assumes that filenames ending in .mop or .zt have the Mopac
format, as well as files whose first line matches
/am1|pm3|mndo|mdg|pdg/i (this may change in the future).
Fedora Account System Username: rathann
--
You are receiving this mail because:
You are always notified about changes to this product and component
You are on the CC list for the bug.
https://bugzilla.redhat.com/show_bug.cgi?id=2418590
Report this comment as SPAM:
https://bugzilla.redhat.com/enter_bug.cgi?product=Bugzilla&format=report-spam&short_desc=Report%20of%20Bug%202418590%23c0
--
_______________________________________________
package-review mailing list -- [email protected]
To unsubscribe send an email to [email protected]
Fedora Code of Conduct:
https://docs.fedoraproject.org/en-US/project/code-of-conduct/
List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines
List Archives:
https://lists.fedoraproject.org/archives/list/[email protected]
Do not reply to spam, report it:
https://pagure.io/fedora-infrastructure/new_issue
