Debian NEW package overview for xtb
xtb_6.5.1-1_amd64.changes (click to toggle)
Format:1.8
Date:Fri, 16 Sep 2022 09:04:29 -0400
Source:xtb
Binary:libxtb-dev libxtb6 libxtb6-dbgsym xtb xtb-dbgsym
Architecture:source amd64
Version:6.5.1-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Andrius Merkys <merkys@debian.org>
Description:
libxtb-dev - development files for xtb
libxtb6    - shared library for xtb
xtb        - semiempirical extended tight-binding program package
Closes:1020557
Changes:
xtb (6.5.1-1) unstable; urgency=medium

  * Initial release. (Closes: #1020557)
Files:
3b7c60d882c05207ee234783fd69c486 2093 science optional xtb_6.5.1-1.dsc
79d50056998c3f0f21d7f327e2099719 1391043 science optional xtb_6.5.1.orig.tar.gz
d6933ca25ac4bb499595c20def089703 8756 science optional xtb_6.5.1-1.debian.tar.xz
e523b2098a80785d990f6604ebefcfe9 10480 libdevel optional libxtb-dev_6.5.1-1_amd64.deb
4c838ac757f9f4249f2641afacea7d6b 2139524 debug optional libxtb6-dbgsym_6.5.1-1_amd64.deb
66bebd77be2f36842a365b47ab5584cf 1609872 libs optional libxtb6_6.5.1-1_amd64.deb
55b99764c0759cc81f835ce5b32bd5c9 2102480 debug optional xtb-dbgsym_6.5.1-1_amd64.deb
9fb900c0cb3b3b600383a4e8bcd43ec1 9258 science optional xtb_6.5.1-1_amd64.buildinfo
b7c4fb97d7a63bc7e4df42d6ea0d0f54 1593352 science optional xtb_6.5.1-1_amd64.deb
xtb_6.5.1-1.dsc (click to toggle)
Format:3.0 (quilt)
Source:xtb
Binary:libxtb-dev, libxtb6, xtb
Architecture:any
Version:6.5.1-1
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders:Andrius Merkys <merkys@debian.org>,
Homepage:https://github.com/grimme-lab/xtb
Standards-Version:4.6.1
Vcs-Browser:https://salsa.debian.org/debichem-team/xtb
Vcs-Git:https://salsa.debian.org/debichem-team/xtb.git
Build-Depends:asciidoc-base, debhelper-compat (=13), docbook-xml, docbook-xsl, gfortran, libmctc-lib-dev, libopenblas-dev, meson, pkg-config, xsltproc
Package-List:libxtb-dev deb libdevel optional arch=any libxtb6 deb libs optional arch=any xtb deb science optional arch=any
Files:
79d50056998c3f0f21d7f327e2099719 1391043 xtb_6.5.1.orig.tar.gz
d6933ca25ac4bb499595c20def089703 8756 xtb_6.5.1-1.debian.tar.xz
lintian 2.104.0 check for xtb_6.5.1-1.dsc (click to toggle)
README.source for xtb_6.5.1-1.dsc (click to toggle)
No README.source in this package
control file for libxtb-dev_6.5.1-1_amd64.deb (click to toggle)
Package:libxtb-dev
Source:xtb
Version:6.5.1-1
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:47
Depends:libxtb6 (=6.5.1-1)
Section:libdevel
Priority:optional
Homepage:https://github.com/grimme-lab/xtb
Description:
development files for xtb
 xtb program performs semiempirical quantummechanical calculations. The
 underlying effective Hamiltonian is derived from density functional tight
 binding (DFTB). This implementation of the xTB Hamiltonian is currently
 compatible with the zeroth, first and second level parametrisation for
 geometries, frequencies and non-covalent interactions (GFN) as well as with
 the ionisation potential and electron affinity (IPEA) parametrisation of the
 GFN1 Hamiltonian. The generalized born (GB) model with solvent accessable
 surface area (SASA) is also available available in this version. Ground state
 calculations for the simplified Tamm-Danceoff approximation (sTDA) with the
 vTB model are currently not implemented.
 .
 This package contains the development files.
lintian 2.104.0 check for libxtb-dev_6.5.1-1_amd64.deb (click to toggle)
contents of libxtb-dev_6.5.1-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2022-09-16 13:04 ./
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/include/
-rw-r--r-- root/root     11940 2022-09-16 13:04 ./usr/include/xtb.h
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/x86_64-linux-gnu/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/x86_64-linux-gnu/pkgconfig/
-rw-r--r-- root/root       219 2022-09-16 13:04 ./usr/lib/x86_64-linux-gnu/pkgconfig/xtb.pc
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/libxtb-dev/
-rw-r--r-- root/root       156 2022-09-16 13:04 ./usr/share/doc/libxtb-dev/changelog.Debian.gz
-rw-r--r-- root/root     22410 2022-09-16 13:04 ./usr/share/doc/libxtb-dev/copyright
lrwxrwxrwx root/root         0 2022-09-16 13:04 ./usr/lib/x86_64-linux-gnu/libxtb.so -> libxtb.so.6
control file for libxtb6_6.5.1-1_amd64.deb (click to toggle)
Package:libxtb6
Source:xtb
Version:6.5.1-1
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:5534
Depends:libc6 (>=2.29), libgfortran5 (>=10), libgomp1 (>=9), libmctc-lib0 (>=0.3.1), libopenblas0
Section:libs
Priority:optional
Homepage:https://github.com/grimme-lab/xtb
Description:
shared library for xtb
 xtb program performs semiempirical quantummechanical calculations. The
 underlying effective Hamiltonian is derived from density functional tight
 binding (DFTB). This implementation of the xTB Hamiltonian is currently
 compatible with the zeroth, first and second level parametrisation for
 geometries, frequencies and non-covalent interactions (GFN) as well as with
 the ionisation potential and electron affinity (IPEA) parametrisation of the
 GFN1 Hamiltonian. The generalized born (GB) model with solvent accessable
 surface area (SASA) is also available available in this version. Ground state
 calculations for the simplified Tamm-Danceoff approximation (sTDA) with the
 vTB model are currently not implemented.
 .
 This package contains the shared library.
lintian 2.104.0 check for libxtb6_6.5.1-1_amd64.deb (click to toggle)
contents of libxtb6_6.5.1-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2022-09-16 13:04 ./
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/x86_64-linux-gnu/
-rw-r--r-- root/root   5631584 2022-09-16 13:04 ./usr/lib/x86_64-linux-gnu/libxtb.so.6.5.1
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/libxtb6/
-rw-r--r-- root/root       156 2022-09-16 13:04 ./usr/share/doc/libxtb6/changelog.Debian.gz
-rw-r--r-- root/root     22410 2022-09-16 13:04 ./usr/share/doc/libxtb6/copyright
lrwxrwxrwx root/root         0 2022-09-16 13:04 ./usr/lib/x86_64-linux-gnu/libxtb.so.6 -> libxtb.so.6.5.1
control file for libxtb6-dbgsym_6.5.1-1_amd64.deb (click to toggle)
Package:libxtb6-dbgsym
Source:xtb
Version:6.5.1-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:2265
Depends:libxtb6 (=6.5.1-1)
Section:debug
Priority:optional
Description:
debug symbols for libxtb6
Build-Ids:223f95154ce8c7ebf1a950e34702a06847effa6a
lintian 2.104.0 check for libxtb6-dbgsym_6.5.1-1_amd64.deb (click to toggle)
contents of libxtb6-dbgsym_6.5.1-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2022-09-16 13:04 ./
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/debug/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/debug/.build-id/22/
-rw-r--r-- root/root   2308440 2022-09-16 13:04 ./usr/lib/debug/.build-id/22/3f95154ce8c7ebf1a950e34702a06847effa6a.debug
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/
lrwxrwxrwx root/root         0 2022-09-16 13:04 ./usr/share/doc/libxtb6-dbgsym -> libxtb6
control file for xtb_6.5.1-1_amd64.deb (click to toggle)
Package:xtb
Version:6.5.1-1
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:5412
Depends:libc6 (>=2.34), libgcc-s1 (>=4.0), libgfortran5 (>=10), libgomp1 (>=9), libmctc-lib0 (>=0.3.1), libopenblas0
Section:science
Priority:optional
Homepage:https://github.com/grimme-lab/xtb
Description:
semiempirical extended tight-binding program package
 xtb program performs semiempirical quantummechanical calculations. The
 underlying effective Hamiltonian is derived from density functional tight
 binding (DFTB). This implementation of the xTB Hamiltonian is currently
 compatible with the zeroth, first and second level parametrisation for
 geometries, frequencies and non-covalent interactions (GFN) as well as with
 the ionisation potential and electron affinity (IPEA) parametrisation of the
 GFN1 Hamiltonian. The generalized born (GB) model with solvent accessable
 surface area (SASA) is also available available in this version. Ground state
 calculations for the simplified Tamm-Danceoff approximation (sTDA) with the
 vTB model are currently not implemented.
lintian 2.104.0 check for xtb_6.5.1-1_amd64.deb (click to toggle)
contents of xtb_6.5.1-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2022-09-16 13:04 ./
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/bin/
-rwxr-xr-x root/root   5323120 2022-09-16 13:04 ./usr/bin/xtb
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/xtb/
-rw-r--r-- root/root       156 2022-09-16 13:04 ./usr/share/doc/xtb/changelog.Debian.gz
-rw-r--r-- root/root     22410 2022-09-16 13:04 ./usr/share/doc/xtb/copyright
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/man/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/man/man1/
-rw-r--r-- root/root      5901 2022-09-16 13:04 ./usr/share/man/man1/xtb.1.gz
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/modules/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/modules/modulefiles/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/modules/modulefiles/xtb/
-rw-r--r-- root/root       327 2022-09-16 13:04 ./usr/share/modules/modulefiles/xtb/6.5.1
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/xtb/
-rw-r--r-- root/root     10664 2022-09-16 13:04 ./usr/share/xtb/.param_gfnff.xtb
-rw-r--r-- root/root     39220 2022-09-16 13:04 ./usr/share/xtb/param_gfn0-xtb.txt
-rw-r--r-- root/root     28007 2022-09-16 13:04 ./usr/share/xtb/param_gfn1-si-xtb.txt
-rw-r--r-- root/root     27800 2022-09-16 13:04 ./usr/share/xtb/param_gfn1-xtb.txt
-rw-r--r-- root/root     35849 2022-09-16 13:04 ./usr/share/xtb/param_gfn2-xtb.txt
-rw-r--r-- root/root     27805 2022-09-16 13:04 ./usr/share/xtb/param_ipea-xtb.txt
control file for xtb-dbgsym_6.5.1-1_amd64.deb (click to toggle)
Package:xtb-dbgsym
Source:xtb
Version:6.5.1-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:2217
Depends:xtb (=6.5.1-1)
Section:debug
Priority:optional
Description:
debug symbols for xtb
Build-Ids:95eeaa2e9d47b8023725e74d3a89010a1d5cf9fc
lintian 2.104.0 check for xtb-dbgsym_6.5.1-1_amd64.deb (click to toggle)
contents of xtb-dbgsym_6.5.1-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2022-09-16 13:04 ./
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/debug/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/lib/debug/.build-id/95/
-rw-r--r-- root/root   2259200 2022-09-16 13:04 ./usr/lib/debug/.build-id/95/eeaa2e9d47b8023725e74d3a89010a1d5cf9fc.debug
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/
drwxr-xr-x root/root         0 2022-09-16 13:04 ./usr/share/doc/
lrwxrwxrwx root/root         0 2022-09-16 13:04 ./usr/share/doc/xtb-dbgsym -> xtb

Timestamp: 23.09.2022 / 13:11:49 (UTC)