libpsi3-dev_3.4.0-6build2_i386.deb


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Description

libpsi3-dev - Quantum Chemical Program Suite (Development Libraries)

Property Value
Distribution Ubuntu 18.04 (Bionic Beaver)
Repository Ubuntu Universe i386
Package name libpsi3-dev
Package version 3.4.0
Package release 6build2
Package architecture i386
Package type deb
Installed size 1.94 KB
Download size 389.68 KB
Official Mirror archive.ubuntu.com
PSI3 is an ab-initio quantum chemistry program.  It is especially designed to
accurately compute properties of small to medium molecules using highly
correlated techniques.
This package contains the static libraries and header files.

Alternatives

Package Version Architecture Repository
libpsi3-dev_3.4.0-6build2_amd64.deb 3.4.0 amd64 Ubuntu Universe
libpsi3-dev - - -

Download

Type URL
Binary Package libpsi3-dev_3.4.0-6build2_i386.deb
Source Package psicode

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install libpsi3-dev deb package:
    # sudo apt-get install libpsi3-dev

Files

Path
/usr/include/ccfiles.h
/usr/include/chkpt_params.h
/usr/include/masses.h
/usr/include/physconst.h
/usr/include/psiconfig.h
/usr/include/psifiles.h
/usr/include/psitypes.h
/usr/include/rgb.h
/usr/include/symmetry.h
/usr/include/vdw_radii.h
/usr/include/libbasis/basisset.h
/usr/include/libbasis/combinate.h
/usr/include/libbasis/gnorm.h
/usr/include/libbasis/osrecur.h
/usr/include/libbasis/overlap.h
/usr/include/libbasis/rotation.h
/usr/include/libbasis/shell.h
/usr/include/libchkpt/chkpt.h
/usr/include/libchkpt/chkpt.hpp
/usr/include/libchkpt/config.h
/usr/include/libciomr/libciomr.h
/usr/include/libdpd/dpd.h
/usr/include/libipv1/ip_alloc.gbl
/usr/include/libipv1/ip_cwk.gbl
/usr/include/libipv1/ip_data.gbl
/usr/include/libipv1/ip_error.gbl
/usr/include/libipv1/ip_error.h
/usr/include/libipv1/ip_global.h
/usr/include/libipv1/ip_karray.gbl
/usr/include/libipv1/ip_lib.h
/usr/include/libipv1/ip_print.gbl
/usr/include/libipv1/ip_read.gbl
/usr/include/libipv1/ip_types.h
/usr/include/libipv1/scan.gbl
/usr/include/libipv1/tmpl.h
/usr/include/libipv1/y.tab.gbl
/usr/include/libiwl/config.h
/usr/include/libiwl/iwl.h
/usr/include/libiwl/iwl.hpp
/usr/include/libmints/basisset.h
/usr/include/libmints/dipole.h
/usr/include/libmints/eri.h
/usr/include/libmints/factory.h
/usr/include/libmints/gshell.h
/usr/include/libmints/integral.h
/usr/include/libmints/kinetic.h
/usr/include/libmints/matrix.h
/usr/include/libmints/matrix_i.cc
/usr/include/libmints/molecule.h
/usr/include/libmints/onebody.h
/usr/include/libmints/osrecur.h
/usr/include/libmints/overlap.h
/usr/include/libmints/potential.h
/usr/include/libmints/quadrupole.h
/usr/include/libmints/ref.h
/usr/include/libmints/sobasis.h
/usr/include/libmints/symmetry.h
/usr/include/libmints/twobody.h
/usr/include/libmints/vector.h
/usr/include/libmints/vector3.h
/usr/include/libmints/vector3_i.cc
/usr/include/libmints/wavefunction.h
/usr/include/libmoinfo/libmoinfo.h
/usr/include/libmoinfo/moinfo.h
/usr/include/libmoinfo/moinfo_base.h
/usr/include/libmoinfo/moinfo_scf.h
/usr/include/liboptions/liboptions.h
/usr/include/libpsio/config.h
/usr/include/libpsio/psio.h
/usr/include/libpsio/psio.hpp
/usr/include/libqt/qt.h
/usr/include/libutil/libutil.h
/usr/lib/libPSI_basis.a
/usr/lib/libPSI_chkpt.a
/usr/lib/libPSI_ciomr.a
/usr/lib/libPSI_dpd.a
/usr/lib/libPSI_ipv1.a
/usr/lib/libPSI_iwl.a
/usr/lib/libPSI_mints.a
/usr/lib/libPSI_moinfo.a
/usr/lib/libPSI_options.a
/usr/lib/libPSI_psio.a
/usr/lib/libPSI_qt.a
/usr/lib/libPSI_util.a
/usr/share/doc/libpsi3-dev/changelog.Debian.gz
/usr/share/doc/libpsi3-dev/copyright

Changelog

2017-06-02 - Steve Langasek <steve.langasek@ubuntu.com>
psicode (3.4.0-6build2) artful; urgency=medium
* No-change rebuild to pick up -fPIE compiler default in static
libraries
2016-09-30 - Steve Langasek <steve.langasek@ubuntu.com>
psicode (3.4.0-6build1) yakkety; urgency=medium
* No-change rebuild to enable -fPIE for static libs.
2015-09-12 - Michael Banck <mbanck@debian.org>
psicode (3.4.0-6) unstable; urgency=medium
* debian/patches/13_713570_gcc-4.8_ftbfs.patch: New patch, addresses a build
error with gcc-4.8 (see #713570).
* debian/control (libpsi3-dev): New package.
* debian/psi3.install: New file.
* debian/libpsi3-dev: Likewise.
* debian/rules (override_dh_auto_install): Adjusted.
2013-08-07 - Debichem Team <debichem-devel@lists.alioth.debian.org>
psicode (3.4.0-5) unstable; urgency=low
[ Michael Banck ]
* debian/patches/11_testsuite.patch: New patch, adds CCSD(T)/CASSCF
geometry optimizations with analytical gradients and CC2/EOM-CCSD/MRCC
energies to quicktests.  Further, do not exit immediately if one test
fails.
* debian/patches/12_613088_fix_manpage.patch: New patch, removes the
mangling of the main psi3 manpage with macros (closes: #613088).
* debian/upstream: Removed WIREs article for now as it is specfic to PSI4.
* debian/rules (override_dh_auto_test): Only run testsuite if
DEB_BUILD_OPTIONS does not contain `nocheck', as per policy.
* debian/psirc.example: New file, contains an example ~/.psirc.
* debian/rules (override_dh_auto_install): Install it.
[ Daniel Leidert ]
* debian/compat: Increased level to 7.
* debian/control (Uploaders): Removed myself.
(Standards-Version): Bumped to 3.9.4.
(Build-Depends): Added required version for autotools-dev addon. Replaced
bison by byacc (closes: #713570).
(Vcs-Browser, Vcs-Svn): Fixed vcs-field-not-canonical.
(DM-Upload-Allowed): Dropped.
* debian/dirs: Renamed to debian/psi3.dirs.
* debian/docs: Renamed to debian/psi3.docs. Added user manual.
* debian/psi3.doc-base: Added.
* debian/rules: Use variables instead of commands (e.g. MAKE, RM). Call
the autotools_dev addon.
(override_dh_auto_test): Removed the nofilter check. dh will do this.
* debian/upstream: Added.
* debian/README.source: Dropped obsolete file.
* debian/TODO: Dropped.
* debian/patches/*.patch: Added header tags.
* debian/patches/13_parallel-make.patch: Added.
- Try to improve the compilation process of flex/byacc related stuff.
* debian/patches/14_fix_typos.patch: Added.
- Fix spelling errors.
* debian/patches/series: Adjusted.
2013-04-08 - Michael Banck <mbanck@debian.org>
psicode (3.4.0-4) unstable; urgency=high
* debian/patches/07_464867_move_executables.patch: Only append /usr/lib/psi
to $PATH if it is not already present (closes: #641470).

See Also

Package Description
libpsm-infinipath1-dev_3.3+20.604758e7-5_i386.deb Development files for libpsm-infinipath1
libpsm-infinipath1_3.3+20.604758e7-5_i386.deb PSM Messaging library for Intel Truescale adapters
libpsocksxx-dev_1.1.0-1.2_i386.deb psocksxx is a C++ wrapper for POSIX sockets (development files)
libpsocksxx-doc_1.1.0-1.2_all.deb psocksxx is a C++ wrapper for POSIX sockets (documentation)
libpsocksxx0_1.1.0-1.2_i386.deb psocksxx is a C++ wrapper for POSIX sockets
libpst-dev_0.6.71-0.1_i386.deb library for reading Microsoft Outlook PST files (development files)
libpst4_0.6.71-0.1_i386.deb library for reading Microsoft Outlook PST files
libpstoedit-dev_3.70-5_i386.deb PostScript to editable vector graphics library (development files)
libpstoedit0c2a_3.70-5_i386.deb PostScript to editable vector graphics library (runtime files)
libpstreams-dev_1.0.1-1_all.deb C++ iostream interface to POSIX process I/O
libpsurface-dev_2.0.0-2_i386.deb piecewise linear bijections between triangulated surfaces -- development files
libpsurface0v5_2.0.0-2_i386.deb piecewise linear bijections between triangulated surfaces -- shared library
libpsych-java_2.2.4-6build4_all.deb ruby-psych Java extension
libpt-dev_2.10.11~dfsg-2.1_i386.deb Portable Tools Library development files
libpt-doc_2.10.11~dfsg-2.1_all.deb Portable Tools Library documentation & sample files
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