Debian NEW package overview for parmed
parmed_3.4.3+dfsg-1_amd64.changes (click to toggle)
Format:1.8
Date:Thu, 04 Aug 2022 10:16:53 -0400
Source:parmed
Binary:python3-parmed python3-parmed-dbgsym
Architecture:source amd64
Version:3.4.3+dfsg-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Andrius Merkys <merkys@debian.org>
Description:
python3-parmed - parameter and topology file editor and molecular mechanical simul
Closes:1015857
Changes:
parmed (3.4.3+dfsg-1) unstable; urgency=medium

  * Initial release. (Closes: #1015857)
Files:
2a45d3344acf71dfe42b8ad19b4e6e6d 2162 science optional parmed_3.4.3+dfsg-1.dsc
f9ab9d26cfac82b3f6d0e690be474320 23561832 science optional parmed_3.4.3+dfsg.orig.tar.xz
6be54e505b3f48b8bc11cb53931ac4a1 6868 science optional parmed_3.4.3+dfsg-1.debian.tar.xz
e6d0e304d670a5e7af0e823b8cb0a32f 10359 science optional parmed_3.4.3+dfsg-1_amd64.buildinfo
77771bac7c6aff9517039316c89a4d2b 261412 debug optional python3-parmed-dbgsym_3.4.3+dfsg-1_amd64.deb
c1bbc5d57bdc55d55fd3c00f9861d254 409664 science optional python3-parmed_3.4.3+dfsg-1_amd64.deb
parmed_3.4.3+dfsg-1.dsc (click to toggle)
Format:3.0 (quilt)
Source:parmed
Binary:python3-parmed
Architecture:any
Version:3.4.3+dfsg-1
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders:Andrius Merkys <merkys@debian.org>,
Homepage:https://parmed.github.io/ParmEd/html/index.html
Standards-Version:4.6.1
Vcs-Browser:https://salsa.debian.org/debichem-team/parmed
Vcs-Git:https://salsa.debian.org/debichem-team/parmed.git
Build-Depends:debhelper-compat (=13), dh-python, gromacs<!nocheck>, gromacs-data<!nocheck>, libopenmm-plugins<!nocheck>, python3-all-dev, python3-numpy<!nocheck>, python3-pytest<!nocheck>, python3-simtk<!nocheck>
Package-List:python3-parmed deb science optional arch=any
Files:
f9ab9d26cfac82b3f6d0e690be474320 23561832 parmed_3.4.3+dfsg.orig.tar.xz
6be54e505b3f48b8bc11cb53931ac4a1 6868 parmed_3.4.3+dfsg-1.debian.tar.xz
lintian 2.104.0 check for parmed_3.4.3+dfsg-1.dsc (click to toggle)
README.source for parmed_3.4.3+dfsg-1.dsc (click to toggle)
No README.source in this package
control file for python3-parmed_3.4.3+dfsg-1_amd64.deb (click to toggle)
Package:python3-parmed
Source:parmed
Version:3.4.3+dfsg-1
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:2564
Depends:python3 (<<3.11), python3 (>=3.10~), python3:any, libc6 (>=2.14), libgcc-s1 (>=3.0), libstdc++6 (>=5.2)
Provides:python3.10-parmed
Section:science
Priority:optional
Homepage:https://parmed.github.io/ParmEd/html/index.html
Description:
parameter and topology file editor and molecular mechanical simulator
 ParmEd is a package designed to facilitate creating and easily manipulating
 molecular systems that are fully described by a common classical force field.
 Supported force fields include Amber, CHARMM, AMOEBA, and several others that
 share a similar functional form (e.g., GROMOS).
 .
 ParmEd is capable of reading and writing to a wide array of different file
 formats, like the Amber topology and coordinate files, CHARMM PSF, parameter,
 topology, and coordinate files, Tinker parameter, topology, and coordinate
 files, and many others. The expressive central data structure (the 'Structure'
 class) makes it easy to quickly and safely manipulate a chemical system, its
 underlying topology, and force field parameters describing its potential energy
 function.
 .
 There are two parts of ParmEd -- a documented API that one can incorporate into
 their own Python scripts and programs, and a GUI/CLI pair of programs that
 provides a means to quickly perform various modifications to chemical systems
 for rapid prototyping.
 .
 The API also provides bindings to the OpenMM library, permitting one to carry
 out full molecular dynamics investigations using ParmEd on high-performant
 hardware, like AMD and NVidia GPUs.
lintian 2.104.0 check for python3-parmed_3.4.3+dfsg-1_amd64.deb (click to toggle)
contents of python3-parmed_3.4.3+dfsg-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2022-08-04 14:16 ./
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/bin/
-rwxr-xr-x root/root       953 2022-08-04 14:16 ./usr/bin/parmed
-rwxr-xr-x root/root       947 2022-08-04 14:16 ./usr/bin/xparmed
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/python3/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/python3/dist-packages/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/python3/dist-packages/ParmEd-3.4.3.egg-info/
-rw-r--r-- root/root       246 2022-08-04 14:16 ./usr/lib/python3/dist-packages/ParmEd-3.4.3.egg-info/PKG-INFO
-rw-r--r-- root/root         1 2022-08-04 14:16 ./usr/lib/python3/dist-packages/ParmEd-3.4.3.egg-info/dependency_links.txt
-rw-r--r-- root/root        96 2022-08-04 14:16 ./usr/lib/python3/dist-packages/ParmEd-3.4.3.egg-info/entry_points.txt
-rw-r--r-- root/root         7 2022-08-04 14:16 ./usr/lib/python3/dist-packages/ParmEd-3.4.3.egg-info/top_level.txt
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/python3/dist-packages/parmed/
-rw-r--r-- root/root      3440 2021-08-31 14:13 ./usr/lib/python3/dist-packages/parmed/__init__.py
-rw-r--r-- root/root       475 2022-08-04 14:16 ./usr/lib/python3/dist-packages/parmed/_version.py
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-rw-r--r-- root/root      5443 2021-08-31 14:13 ./usr/lib/python3/dist-packages/parmed/utils/io.py
-rw-r--r-- root/root     39287 2021-08-31 14:13 ./usr/lib/python3/dist-packages/parmed/utils/netcdf.py
-rw-r--r-- root/root      1941 2021-08-31 14:13 ./usr/lib/python3/dist-packages/parmed/utils/pairlist.py
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-rw-r--r-- root/root     29664 2021-08-31 14:13 ./usr/lib/python3/dist-packages/parmed/utils/six.py
-rw-r--r-- root/root      3689 2021-08-31 14:13 ./usr/lib/python3/dist-packages/parmed/utils/timer.py
-rw-r--r-- root/root      3785 2021-08-31 14:13 ./usr/lib/python3/dist-packages/parmed/vec3.py
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/share/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/share/doc/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/share/doc/python3-parmed/
-rw-r--r-- root/root       161 2022-08-04 14:16 ./usr/share/doc/python3-parmed/changelog.Debian.gz
-rw-r--r-- root/root      3030 2022-08-04 14:16 ./usr/share/doc/python3-parmed/copyright
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/share/man/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/share/man/man1/
-rw-r--r-- root/root      1185 2022-08-04 14:16 ./usr/share/man/man1/parmed.1.gz
control file for python3-parmed-dbgsym_3.4.3+dfsg-1_amd64.deb (click to toggle)
Package:python3-parmed-dbgsym
Source:parmed
Version:3.4.3+dfsg-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:276
Depends:python3-parmed (=3.4.3+dfsg-1)
Section:debug
Priority:optional
Description:
debug symbols for python3-parmed
Build-Ids:3e8010332f98f768a3734a7789d3534a68f9ed65
lintian 2.104.0 check for python3-parmed-dbgsym_3.4.3+dfsg-1_amd64.deb (click to toggle)
contents of python3-parmed-dbgsym_3.4.3+dfsg-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2022-08-04 14:16 ./
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/debug/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/lib/debug/.build-id/3e/
-rw-r--r-- root/root    271928 2022-08-04 14:16 ./usr/lib/debug/.build-id/3e/8010332f98f768a3734a7789d3534a68f9ed65.debug
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/share/
drwxr-xr-x root/root         0 2022-08-04 14:16 ./usr/share/doc/
lrwxrwxrwx root/root         0 2022-08-04 14:16 ./usr/share/doc/python3-parmed-dbgsym -> python3-parmed

Timestamp: 05.08.2022 / 07:01:47 (UTC)