aces3 (3.0.8-5.1) unstable; urgency=medium * Non-maintainer upload. * Fix obsolete use of libgfortranbegin. Closes: #831164. -- Alastair McKinstry Sat, 10 Sep 2016 11:05:40 +0100 aces3 (3.0.8-5) unstable; urgency=medium * debian/patches/makefile_show_output.patch: New patch, makes the Makefiles no longer supress general output and errors (Closes: #794782). * debian/rules (override_dh_auto_clean): Remove config.h. * debian/control (DM-Upload-Allowed): Removed. * debian/control (Standards-Version): Bumped to 3.9.6. -- Michael Banck Sun, 22 Nov 2015 17:53:16 +0100 aces3 (3.0.8-4) unstable; urgency=medium * debian/rules (FFLAGS1): Remove quotes (Closes: #767498). -- Michael Banck Sun, 09 Nov 2014 17:28:11 +0100 aces3 (3.0.8-3) unstable; urgency=medium * debian/rules: Move FFLAGS1 from override_dh_auto_configure to a top-level variable (Closes: #767498). -- Michael Banck Sun, 09 Nov 2014 10:05:12 +0100 aces3 (3.0.8-2) unstable; urgency=medium * debian/rules (override_dh_auto_configure): Set FFLAGS1 for F90 source files, including -ffunction-sections to fix FTBFS errors on armhf and arm64 (Closes: #767498). * debian/rules (override_dh_auto_configure): Remove superfluous -lmpi_cxx and -lstdc++ from GNULIBS, fixing an FTBFS error on s390x (Closes: #767498). * debian/control (aces3-data): Add Replaces for aces3 package prior to the -data splitup (Closes: #768212). -- Michael Banck Sat, 08 Nov 2014 13:50:23 +0100 aces3 (3.0.8-1) unstable; urgency=medium * New upstream release. * debian/patches/default_directories.patch: Updated. * debian/patches/testsuite_input.patch: Likewise. * debian/patches/makefile_distclean.patch: Likewise. * debian/patches/testsuite_prepare.patch: Likewise. * debian/patches/divide-by-zero-error_fix.patch: Likewise. * debian/patches/exit_impossible_seq_jobs_gracefully.patch: Likewise. * debian/patches/ignore_invalid_message_type_nind.patch: Likewise. * debian/patches/fix_format_not_string.patch: Likewise. * debian/patches/testsuite_quicktests.patch: Likewise. * debian/patches/fix_binary_characters_in_output.patch: Likewise. * debian/patches/testsuite_compare.patch: Likewise. * debian/patches/compile_error.patch: Removed, no longer needed. * debian/patches/fix_compile_errors.patch: New patch, fixes compile errors introduced in new upstream version. * debian/patches/fix_autoconf.patch: New patch, fixes issues with AC_SUBST ordering and adds some missing Makefiles to AC_CONFIG_FILES. * debian/rules (override_dh_auto_clean, override_dh_auto_configure): Adjust for new location of dup directory and include a couple of more Fortran files which are newly required in the new upstream version. * debian/rules (override_dh_auto_configure): Run dh_auto_configure. * debian/patches/patches/testsuite_quicktests.patch: Delete newly created runtests-quick script as well. * debian/patches/makefile_distclean.patch: Removed Fortran90 .mod files from oed_F12 and erd_F12 directories, as well as a couple of new uncleaned files. * debian/rules (override_dh_auto_clean): Remove auto-generated Makefiles. * debian/patches/makeflags.patch: Removed, no longer needed. * debian/patches/fix_read_after_eof.patch: New patch, fixes runtime errors when writing ZMAT.AUTO. * debian/patches/fix_corrupted_jobabort_variable.patch: New patch, fixes a memory corruption leading to early aborts of compute jobs. * debian/patches/update_version.patch: New patch, update version number. * debian/patches/mem_alloc.patch: New patch, replaces the new and 64bit-only memory allocation with the code from version 3.0.7. * debian/rules (override_dh_auto_clean): Make sure all .sio source files are removed on clean. -- Michael Banck Sun, 26 Oct 2014 18:10:40 +0100 aces3 (3.0.7-1) unstable; urgency=medium * New upstream release. * debian/patches/makeflags.patch: Updated. * debian/patches/makefile_distclean.patch: Likewise. * debian/patches/exit_impossible_seq_jobs_gracefully.patch: Likewise. * debian/patches/fix_binary_characters_in_output.patch: Likewise. * debian/patches/compile_error.patch: New patch, fixes compile errors. * debian/control (aces3/Depends): Fixed depends on aces3-data. -- Michael Banck Mon, 13 Oct 2014 13:25:30 +0200 aces3 (3.0.6-8) unstable; urgency=medium [ Michael Banck ] * debian/patches/testsuite_input.patch: Updated all testsuite input files with much less demanding H2O coordinates and VDZ basis sets. * debian/patches/testsuite_prepare.patch: Run testsuite with two MPI processes. Otherwise, most tests abort. * debian/patches/testsuite_quicktests.patch: New patch, define a new set $(QUICKTESTS) of tests which only runs a few tests to check basic functionality. Also create a runscript-quick to run them. * debian/patches/testsuite_prepare.patch: Adjusted to no longer modify the set of tests in $(TESTS). * debian/rules (override_dh_auto_test): Run runscript-quick instead of runcript. * debian/patches/fix_binary_characters_in_output.patch: New patch, crops the sial_program variable at 60 characters, avoiding binary garbage at the end which makes the ACESIII output files be recognized as binary files by Unix tools (Closes: #687287). * debian/aces3.install: Install SIO into /usr/share, not /usr/lib, as they are architecture-independent. * debian/patches/default_directories.patch: Adjusted for new location of the SIO files. * debian/control (aces3-data): New package. * debian/control (aces3/Depends): Depend on it. * debian/aces3-data.install: New file, install the SIO and GENBAS files. * debian/aces3.install: No longer install SIO and GENBAS files. * debian/docs: Renamed to... * debian/aces3-data.docs: ...this. * debian/upstream (Name, Registration): New fields. * debian/upstream (References): Added Comp. Mol. Sci. review. * debian/patches/testsuite_compare.patch: New patch, updates the reference test suite results with values taken from ACES II calculations on the new testsuite inputs from debian/patches/testsuite_input.patch. In case no ACES II results were available (for the test cases 1.3.2.1, 3.1.4.1, 3.1.4.2, 3.2.2.1 and 3.2.2.2), values from ACES III on amd64 were taken. * debian/aces3.install: Install the SIAL compiler into /usr/bin as well. * debian/rules (override_dh_auto_test): Update OMPI_MCA environment variable to orte_rsh_agent as the original plm_rsh_agent variable is deprecated. * debian/patches/makeflags.patch: Added -fno-aggressive-loop-optimizations to FFLAGS. * debian/upstream: Moved to debian/upstream/metadata. [ Andreas Tille ] * debian/upstream: New file. -- Michael Banck Mon, 13 Oct 2014 00:56:11 +0200 aces3 (3.0.6-7.1) unstable; urgency=medium * Non-maintainer upload. * Fix format not a string FTBFS. (Closes: #748769) -- Anton Gladky Mon, 26 May 2014 19:52:51 +0200 aces3 (3.0.6-7) unstable; urgency=high [ Michael Banck ] * debian/patches/exit_impossible_seq_jobs_gracefully.patch: New patch, prints a helpful error message and quits if a job type is requested which cannot be run sequentially (Closes: #687266). * debian/patches/ignore_invalid_message_nind.patch: New patch, if a message of type ``server_barrier_signal'' or ``server_quit_msgtype'' arrives, ignore if the value of the ``nind'' field is invalid (Closes: #687264). -- Michael Banck Mon, 22 Apr 2013 10:44:02 +0200 aces3 (3.0.6-6) unstable; urgency=low * debian/patches/divide-by-zero-error_fix.patch: New patch, fixes a floating-point exception in case some types of calculations are run on a single core (Closes: #683467). -- Michael Banck Sun, 09 Sep 2012 09:05:06 +0200 aces3 (3.0.6-5) unstable; urgency=low [ Michael Banck ] * debian/rules (override_dh_auto_clean, override_dh_auto_configure): New rules, moving away duplicate lapack/blas source files in the dup/ subdirectory on configure and putting them back in place on clean (Closes: #680397). * debian/patches/testsuite_prepare.patch: Further cut down the testsuite to only test case 1.1.1.1 in order to relief slower buildds. [ Daniel Leidert ] * debian/watch: Added. -- Michael Banck Thu, 19 Jul 2012 02:08:21 +0200 aces3 (3.0.6-4) unstable; urgency=low * debian/patches/patches/default_directories.patch: Fix patch for the case when $ACES_EXE_PATH is not set. * debian/rules (override_dh_auto_test): Only run testsuite if DEB_BUILD_OPTIONS does not contain `nocheck', as per policy. -- Michael Banck Sat, 24 Mar 2012 04:01:26 +0100 aces3 (3.0.6-3) unstable; urgency=low * debian/patches/patches/default_directories.patch: Rework patch to not fail if $ACES_EXE_PATH is set but /usr/lib/aces3 is not present. -- Michael Banck Sat, 24 Mar 2012 02:53:51 +0100 aces3 (3.0.6-2) unstable; urgency=low * debian/control (Description): Slight updates. * debian/rules (override_dh_auto_test): Set OMPI_MCA_plm_rsh_agent environment variable to make test suite run in a chroot. * debian/patches/testsuite_prepare.patch: Remove most tests from TESTS varilable to make testsuite run shorter, echo current test name to stdout to produce some output and remove calls to the non-existant `lfs' utility. -- Michael Banck Sat, 24 Mar 2012 01:53:34 +0100 aces3 (3.0.6-1) unstable; urgency=low * Initial upload (Closes: #640718). -- Michael Banck Tue, 06 Sep 2011 22:05:11 +0200