-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Format: 1.8 Date: Mon, 13 Oct 2014 00:56:11 +0200 Source: aces3 Binary: aces3 aces3-data Architecture: source i386 all Version: 3.0.6-8 Distribution: unstable Urgency: medium Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org> Changed-By: Michael Banck <mbanck@debian.org> Description: aces3 - Advanced Concepts in Electronic Structure III aces3-data - Advanced Concepts in Electronic Structure III Closes: 687287 Changes: 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. Checksums-Sha1: f116e91ce24444263964079daa592ff800be0a7e 1978 aces3_3.0.6-8.dsc 5ddfd3eab807e940d9502c2b73ee5b244c502f3f 15680 aces3_3.0.6-8.debian.tar.xz 70d8d18ecff3374e80318e63137fc8c5e504c3c9 1015276 aces3_3.0.6-8_i386.deb 86b65734df2824a6800850fef1dd204658f1b167 5738406 aces3-data_3.0.6-8_all.deb Checksums-Sha256: 65c2e7fe587f54c061c75923ff370092bce6f229bda51ddcf3a85a3bf8e928f5 1978 aces3_3.0.6-8.dsc 8e353d38841722b15965cc586eff41ec7bd7cd9aec24c463a710a4c9c91181d5 15680 aces3_3.0.6-8.debian.tar.xz 50aa80ebb3e2c1dd4840acf91a9fa0346c06def735e31c8c3e7da4fcdbed81fb 1015276 aces3_3.0.6-8_i386.deb 219d8e8d2910c74fc6b92a988ba77901ea3206bc9f71350eef66ace61dca18fc 5738406 aces3-data_3.0.6-8_all.deb Files: 9d7f2421c39ac300b4be5f5630033ae3 1978 science optional aces3_3.0.6-8.dsc 8ed1c7470bbc958d00e5c17adb4c459b 15680 science optional aces3_3.0.6-8.debian.tar.xz 4d188c3184ef21e1322e11ac9658faed 1015276 science optional aces3_3.0.6-8_i386.deb 11021e5624db017f92f50a6785c54e09 5738406 science optional aces3-data_3.0.6-8_all.deb -----BEGIN PGP SIGNATURE----- Version: GnuPG v1 iQIcBAEBAgAGBQJUOw4/AAoJENxoaie0NIGw9ygP/13UJAgYF2U7e7I9fmScLy4D oCL3GNKlpsAs1Yw/dlBYWD9jyO8sY4RGYCmUKVDKte8kgpdDTLu4qNs8buX3ER2X Gqa1ySihjK3Gr5LuEucOnIjC77VaQMAHHDS4spuH7Fvegibw6K3LJmw2wPNFIaCE 9HZGk/oP7xxdRHzDaUzjWw3y5Qfk26rAsIqEvODuQlPYHymco5b9lfPcUnnEMp3t oa9GVjmPuuVpiIf0BTVbXuDoqLDybyDv3QLS+pn3MXjVNxMRdV7mO7Hl402HeaeT Y9V95LUCxlJSpHSwdWRO/BGbDSMHwVcFE7rnvCu5RyD5AOYMT5NBv21Uue10PPCE /VIRmb97sViqZ7di1TpaClN6bKtCf0j72j7m/txWjaRqcZmPk7SeyKu+mNXfWcn7 J6+5fNJhbeg8iOE62nim0Os3hUz7F1ORF13WeaFdEVFqh739JJvIHkrlKTdxuLDd ocJQZaC7iSzyRpcCr13mG2nS2VTTJL1ILURxbRsFKV4yx7VxUzXcrSQo/F2oF9iV xN91UgqxNQt7tSxNzcCpsCdF7YgcuZjed55vcGc63T0F4T687YJiCjO9hQ6GGPGZ p0A7014g9y2pyrBFkh7+yHxJCpgH2i4d97Yj/wpk0ZQpq3OHUWuq7UH62NtohiAe 51mxviWIh6LPaGF4eYYQ =otHs -----END PGP SIGNATURE-----
