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. -- Michael Banck Sat, 12 Sep 2015 14:17:43 +0200 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. -- Debichem Team Wed, 07 Aug 2013 22:48:32 +0200 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). -- Michael Banck Mon, 08 Apr 2013 15:44:32 +0200 psicode (3.4.0-3) unstable; urgency=low * debian/control: Add CC3, MRCCSD and SCS-MP2 energies, RHF hessian and closed-shell MP2 gradient to features, clarify that MP2-R12 is an explicitly correlated method. * debian/patches/09_system_libint.dpatch: New patch, modifies the build system to use the system libint and not compile and link in the shipped libint codes. * debian/control (Build-Depends): Added libint-dev. * debian/rules (DEB_MAKE_CHECK_TARGET): Run quicktests target to invoke the test suite. * debian/rules: Rewritten for dh. * debian/control (Build-Depends): Bumped debhelper version to 8, removed cdbs and dpatch. * debian/patches: Moved to source version 3.0 (quilt). * debian/source/format: New file. * debian/rules (override_dh_auto_install): Install some test suite input files as examples. * debian/dirs: Added examples directory. * debian/TODO: Updated. * debian/control (Standards-Version): Bumped to 3.9.3. * debian/rules (override_dh_auto_test): Do not abort build on test suite failure. * debian/rules (override_dh_auto_build): New rule, build the user manual in addition to the main code. * debian/control (Build-Depends): Added texlive-latex-recommended. * debian/patches/10_makerules_doc.patch: New patch, build the postscript file by default and deletes some more generated files on realclean. * debian/rules (override_dh_auto_install): Install postscript user manual into documentation directory. -- Michael Banck Thu, 29 Mar 2012 01:26:55 +0200 psicode (3.4.0-2) unstable; urgency=low * debian/control (Standards-Version): Bumped to 3.8.3. (Build-Depends): Added autotools-dev to fix outdated-autotools-helper-file lintian warning. (Vcs-Svn): Fixed vcs-field-uses-not-recommended-uri-format. * debian/rules (install/psi3): Remove all manual pages except the one for the psi3 executable. * debian/README.source: Added to make lintian happy. * debian/patches/08_525758_ftbfs_with_gcc44.dpatch: Added. - Fix FTBFS with GCC 4.4 (closes: #525758). * debian/patches/00list: Adjusted. -- Daniel Leidert (dale) Sat, 29 Aug 2009 15:24:28 +0200 psicode (3.4.0-1) unstable; urgency=low * New upstream release. [ Michael Banck ] * debian/patches/01_DESTDIR.dpatch: Refreshed. * debian/patches/02_FHS.dpatch: Removed, applied upstream. * debian/patches/03_debian_docdir: Likewise. * debian/patches/04_man.dpatch: Likewise. * debian/patches/06_466828_fix_gcc_43_ftbfs.dpatch: Likewise. * debian/patches/07_464867_move_executables: Fixed and refreshed. * debian/patches/00list: Adjusted. * debian/control: Improved description. * debian/patches-held: Removed. * debian/rules (install/psi3): Do not ship the ruby bindings for now. [ Daniel Leidert ] * debian/rules: Fix txtdir via DEB_MAKE_INSTALL_TARGET. * debian/patches/01_DESTDIR.dpatch: Refreshed. -- Michael Banck Mon, 23 Feb 2009 00:12:02 +0100 psicode (3.3.0-4) unstable; urgency=low * debian/control: Improved description. * debian/control (Standards-Version): Bumped to 3.8.0.1. -- Michael Banck Sun, 27 Jul 2008 13:16:17 +0200 psicode (3.3.0-3) unstable; urgency=low * debian/rules (DEB_MAKE_CHECK_TARGET): Do not abort test suite on failures. * debian/rules (DEB_CONFIGURE_EXTRA_FLAGS): Set ${bindir} to /usr/lib/psi. * debian/rules (install/psi3): Move psi3 file to /usr/bin. * debian/patches/07_464867_move_executables.dpatch: New patch, add /usr/lib/psi to the $PATH, so that the moved executables are found. (closes: #464867) * debian/patches/00list: Adjusted. -- Michael Banck Sat, 07 Jun 2008 16:49:57 +0200 psicode (3.3.0-2) unstable; urgency=low [ Daniel Leidert ] * debian/compat: Raised to level 5. * debian/control: Added DM-Upload-Allowed for DM status. (Uploaders): Added myself. (Build-Depends): Raised to debhelper v5. (Standards-Version): Updated to latest policy (no other changes). * debian/copyright: Updated. * debian/rules: Added DEB_MAKE_CLEAN_TARGET variable with adjusted value and a clean target to remove created stuff (not perfect, but closes: #442704). Further make sure that we do not build outside our source directory via DEB_MAKE_ENVVARS. Added noopt-handling. Further set -Wall -g. * debian/patches/04_man.dpatch: Small fix to comply to common rules. * debian/patches/06_466828_fix_gcc_43_ftbfs.dpatch: Added. - Fixes several issues with GCC 4.3 (closes: #466828) and some compiler warnings. * debian/patches/00list: Adjusted. [ Michael Banck ] * debian/rules (DEB_MAKE_CHECK_TARGET): Ignore test suite failures. * debian/patches/05_disable_mp2_tests.dpatch: Removed, no longer needed. * debian/patches/00list: Adjusted. -- Daniel Leidert (dale) Tue, 11 Mar 2008 02:24:33 +0100 psicode (3.3.0-1) unstable; urgency=low * New upstream release. [ Daniel Leidert ] * debian/watch: Added. [ LI Daobing ] * switch simple-patchsys to dpatch - debian/control: build depends on dpatch - debian/rules: update - debian/patches/01_DESTDIR.patch: removed - debian/patches/02_FHS.patch: removed - debian/patches/03_debian_docdir.patch: removed - debian/patches/00list: added - debian/patches/01_DESTDIR.dpatch: added - debian/patches/02_FHS.dpatch: added - debian/patches/03_debian_docdir.dpatch: added * debian/control: - bump standards version to 3.7.2 - build depends on debhelper (>= 4.1.0) * debian/dirs: remove /usr/sbin * debian/copyright: update FSF address * debian/patches/04_man.dpatch: fix some manpage related lintian warnings [ Michael Banck ] * debian/rules (DEB_CONFIGURE_EXTRA_FLAGS): Set ${docdir} to match the Debian docdir of the binary package. * debian/control (Maintainer): Set to Debichem Team. * debian/control (Homepage, Vcs-Browser, Vcs-Svn): Added. * debian/rules (DEB_MAKE_CHECK_TARGET): Enabled. * debian/patches/05_disable_mp2_tests.dpatch: Disable mp2-oeprop and mp2-opt tests which fail. * Transition to gfortran, thanks to Kumar Appaiah: + debian/control (Build-Depends): Replace g77, refblas3-dev, lapack3-dev with gfortran, libblas-dev, liblapack-dev. + debian/rules (DEB_CONFIGURE_EXTRA_FLAGS): New variable, specify gfortran as fortran compiler. (closes: #463972) -- Michael Banck Wed, 13 Feb 2008 01:24:27 +0100 psicode (3.2.3-1) unstable; urgency=low * Initial upload. -- Michael Banck Sun, 10 Sep 2006 14:01:33 +0200