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Bug#1061255: marked as done (ITP: custodian -- flexible just-in-time job management framework in Python)

Your message dated Mon, 12 Feb 2024 03:10:12 +0000
with message-id <E1rZMhw-009v0H-G6@fasolo.debian.org>
and subject line Bug#1061255: fixed in custodian 2024.1.9-2
has caused the Debian Bug report #1061255,
regarding ITP: custodian -- flexible just-in-time job management framework in Python
to be marked as done.

This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

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-- 
1061255: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1061255
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Severity: wishlist
Owner: Drew Parsons <dparsons@debian.org>
X-Debbugs-Cc: debian-devel@lists.debian.org, debian-python@lists.debian.org, debian-science@lists.debian.org, debichem-devel@lists.alioth.debian.org

* Package name    : custodian
  Version         : 2024.1.9
  Upstream Contact: Shyue Ping Ong <ongsp@ucsd.edu>
* URL             : https://github.com/materialsproject/custodian
* License         : MIT/X
  Programming Lang: Python
  Description     : flexible just-in-time job management framework in Python

Custodian is a simple, robust and flexible just-in-time (JIT) job
management framework written in Python. Using custodian, you can
create wrappers that perform error checking, job management and error
recovery. It has a simple plugin framework that allows you to develop
specific job management workflows for different applications.

Error recovery is an important aspect of many high-throughput projects
that generate data on a large scale. When you are running on the order
of hundreds of thousands of jobs, even an error-rate of 1% would mean
thousands of errored jobs that would be impossible to deal with on a
case-by-case basis.

The specific use case for custodian is for long running jobs, with
potentially random errors. For example, there may be a script that
takes several days to run on a server, with a 1% chance of some IO
error causing the job to fail. Using custodian, one can develop a
mechanism to gracefully recover from the error, and restart the job
with modified parameters if necessary.

The current version of Custodian also comes with several sub-packages
for error handling for Vienna Ab Initio Simulation Package (VASP),
NwChem, QChem, FEFF, Lobster and CP2K calculations.


Custodian has been developed by the Materials Project team responsible
for pymatgen, and is used to manage tests for emmet-core etc.  It is a
general python package, but designed for computational chemistry. It
could arguably be managed by the Debian Python Team, but probably best
to keep it alongside pymatgen managed by the Debichem team.

--- End Message ---
--- Begin Message --- 
Source: custodian
Source-Version: 2024.1.9-2
Done: Drew Parsons <dparsons@debian.org>

We believe that the bug you reported is fixed in the latest version of
custodian, which is due to be installed in the Debian FTP archive.

A summary of the changes between this version and the previous one is
attached.

Thank you for reporting the bug, which will now be closed.  If you
have further comments please address them to 1061255@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Drew Parsons <dparsons@debian.org> (supplier of updated custodian package)

(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmaster@ftp-master.debian.org)


-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256

Format: 1.8
Date: Fri, 26 Jan 2024 17:39:46 +0100
Source: custodian
Binary: python-custodian-doc python3-custodian
Architecture: source all
Version: 2024.1.9-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Drew Parsons <dparsons@debian.org>
Description:
 python-custodian-doc - flexible just-in-time job management framework in Python (doc)
 python3-custodian - flexible just-in-time job management framework in Python
Closes: 1061255
Changes:
 custodian (2024.1.9-2) unstable; urgency=medium
 .
   * add missing BSD entries in debian/copyright:
     - docs/_themes/* 2010 Armin Ronacher, Kenneth Reitz
     - custodian/cli/*, Materials Virtual Lab
   * expand on individual contributors to the main code (MIT)
     - The Materials Project
     - human beings Shyue Ping Ong, William Davidson Richards,
       Stephen Dacek, Xiaohui Qu, Matthew Horton, Samuel M. Blau,
       Janosh Riebesell
   * name indivudal contributors in subfolders (MIT)
     - custodian/cp2k/*, Nicholas Winner
     - custodian/feff/*, Chen Zheng
     - custodian/lobster/*, Janine George, Guido Petretto
     - custodian/nwchem/*, Shyue Ping Ong
     - custodian/qchem/*, Samuel Blau, Brandon Wood, Shyam Dwaraknath,
       Xiaohui Qu
     - custodian/vasp/*, Shyue Ping Ong, William Davidson Richards,
       Anubhav Jain, Wei Chen,Stephen Dacek, Andrew Rosen,
       Janosh Riebesell
     - tests/cp2k/*, Pymatgen Development Team
 .
 custodian (2024.1.9-1) unstable; urgency=medium
 .
   * Initial release. (Closes: #1061255)
     - use pytest to run tests
   * run tests with the default python version only, since spglib
     (needed by pymatgen for tests) is only available on default python
   * add debian patches
     - env_test_dir.patch enables location of test dir to be set by
       environment variable CUSTODIAN_TEST_DIR. See upstream issue #311.
     - test_skip.patch skips tests which cannot be run during build
       (files/qchem/new_test_files/FF_working/test_cust.py)
     - doc_build.patch reduces doc build to available sphinx extensions.
       Build-Depends: python3-myst-parser <!nodoc>
   * skip failing tests test_fileman_cpscf_nseg_error,
     test_gdm_neg_precon_error, test_OptFF, test_first_step
   * override dh_clean to not delete test .orig files
   * man pages are generated manually using help2man.
     See debian/README.source.
   * doc privacy: remove .google-analytics.com/ga.js links in html docs
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 463028b6b1ec308d8baa9ffa401e53bac3588dd0 8252 custodian_2024.1.9-2.debian.tar.xz
 f3d38b744c6519342cd9ee75ac39112a9d8e7052 11881 custodian_2024.1.9-2_amd64.buildinfo
 b1e4cd5ea0f4d8abf12215d5205ac10788d7f6d0 174112 python-custodian-doc_2024.1.9-2_all.deb
 aabfaf18f6d973631212029edfaeb32e2551c1de 80424 python3-custodian_2024.1.9-2_all.deb
Checksums-Sha256:
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Files:
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 5c59bf2d7de8a044c78cc9f8b175e4a0 43458189 python optional custodian_2024.1.9.orig.tar.gz
 4c5cfc225aa4337eb175012097b4aa5b 8252 python optional custodian_2024.1.9-2.debian.tar.xz
 9d2476182c8b28d691b897003a6c2924 11881 python optional custodian_2024.1.9-2_amd64.buildinfo
 dc9a81978c78a31e78fad246682c77b3 174112 doc optional python-custodian-doc_2024.1.9-2_all.deb
 93e4a7b78bdff5fe2aabc6e325582881 80424 python optional python3-custodian_2024.1.9-2_all.deb

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