openmolcas (25.02-2) unstable; urgency=medium
* debian/tests/testsuite.sh: Remove flaky test 016.
* debian/control (Build-Depends, openmolcas/Depends): Removed python3-six
(Closes: #1070363).
-- Michael Banck <mbanck@debian.org> Sun, 30 Mar 2025 17:58:56 +0200
openmolcas (25.02-1) unstable; urgency=medium
* New upstream release.
* debian/patches/install_locations.patch: Refreshed.
* debian/patches/python_interpreter.patch: Likewise.
-- Michael Banck <mbanck@debian.org> Sun, 16 Mar 2025 21:22:49 +0100
openmolcas (24.10-4) unstable; urgency=medium
* debian/tests/control: Really drop s390x from architectures.
-- Michael Banck <mbanck@debian.org> Tue, 21 Jan 2025 20:23:32 +0100
openmolcas (24.10-3) unstable; urgency=medium
* debian/tests/control: Drop s390x from architectures (Closes: #1093413).
-- Michael Banck <mbanck@debian.org> Mon, 20 Jan 2025 21:57:20 +0100
openmolcas (24.10-2) experimental; urgency=medium
* Upload to experimental.
* debian/control (Build-Depends): Switch to libxc-7.0.0.
* debian/patches/libxc-7-support.patch: New patch, adds support for
libxc-7.0.0, taken from upstream commits ea79b114, a9a6c128 and d8ea5503.
-- Michael Banck <mbanck@debian.org> Sun, 12 Jan 2025 12:34:15 +0100
openmolcas (24.10-1) unstable; urgency=medium
* New upstream release.
* debian/watch: Updated.
* debian/patches/mkl_library_dir.patch: Removed, no longer needed.
* debian/patches/pyparsing_3.1.1.patch: Likewise.
* debian/patches/pymolcas_default_directories.patch: Refreshed.
* debian/patches/verify_default_directories.patch: Likewise.
* debian/patches/install_locations.patch: Likewise.
* debian/patches/libxc_hardcode_includedir.patch: Likewise.
* debian/patches/python_interpreter.patch: Likewise.
-- Michael Banck <mbanck@debian.org> Sun, 12 Jan 2025 11:58:01 +0100
openmolcas (23.10-1) unstable; urgency=medium
* New upstream release.
* debian/patches/mkl_library_dir.patch: Refreshed.
* debian/patches/pymolcas_default_directories.patch: Likewise.
* debian/patches/install_locations.patch: Likewise.
* debian/patches/libxc_hardcode_includedir.patch: Likewise.
* debian/patches/pyparsing_3.1.1.patch: New patch, makes pymolcas work with
pyparsing-3.1.1, taken from upstream commit df2d6a4.
-- Michael Banck <mbanck@debian.org> Sat, 02 Dec 2023 23:47:01 +0100
openmolcas (22.10-1) unstable; urgency=medium
* New upstream release.
* debian/patches/mkl_library_dir.patch: Refreshed.
* debian/patches/pymolcas_default_directories.patch: Likewise.
* debian/patches/install_locations.patch: Likewise.
* debian/patches/linux_platform_support.patch: Likewise.
* debian/patches/libxc_hardcode_includedir.patch: Likewise.
* debian/patches/python_interpreter.patch: Likewise.
* debian/patches/fix_libxc_interface.patch: Removed, no longer needed.
-- Michael Banck <mbanck@debian.org> Sat, 07 Jan 2023 19:23:59 +0100
openmolcas (22.02-6) unstable; urgency=medium
* debian/rules (FFLAGS): Replaced -fno-expensive-optimizations with
-ffp-contract=off (Closes: #1005202).
-- Michael Banck <mbanck@debian.org> Sat, 11 Jun 2022 18:41:44 +0200
openmolcas (22.02-5) unstable; urgency=medium
* debian/control (Build-Depends): Added libhdf5-dev.
* debian/rules (dh_override_auto_configure): Enable HDF5 support (Closes:
#1012591).
* debian/tests/testsuite.sh: Add HDF5 test.
-- Michael Banck <mbanck@debian.org> Fri, 10 Jun 2022 21:43:08 +0200
openmolcas (22.02-4) unstable; urgency=medium
* Reupload, the last upload accidently disabled the fix_libxc_interface.patch
patch.
-- Michael Banck <mbanck@debian.org> Mon, 04 Apr 2022 18:29:38 +0200
openmolcas (22.02-3) unstable; urgency=medium
[ Dan Bungert ]
* debian/tests/testsuite.sh: Apply merge request #1 (Closes: #988161).
+ Fix for when the parent directory can't be written to - use a tempdir
instead, and clean it up when we're done.
+ Fix basename usage - it can't be handed multiple files at a time, so call
it once per loop. This can occur if there were multiple test failures.
-- Michael Banck <mbanck@debian.org> Sun, 03 Apr 2022 13:38:36 +0200
openmolcas (22.02-2) unstable; urgency=medium
* debian/control (Depends): Added python3-lxml (for pymolcas verify).
* debian/rules (override_dh_auto_configure): Set LINALG to "Manual" and
replace OPENBLASROOT with LINALG_LIBRARIES.
* debian/patches/openblas_hardcode_includedir.patch: Removed, no longer
needed.
* debian/openmolcas.install: Add help_func.
* debian/patches/python_interpreter.patch: New patch, partially reverts
upstream commit 523c2ef so that pymolcas shebang line does encode the
python version.
* debian/patches/fix_libxc_interface.patch: New patch, avoids an assertion
error when OpenMolcas is linked against a system libxc library with
assertions on.
-- Michael Banck <mbanck@debian.org> Fri, 01 Apr 2022 18:37:53 +0200
openmolcas (22.02-1) unstable; urgency=medium
* New upstream release.
* debian/patches/mkl_library_dir.patch: Refreshed.
* debian/patches/install_locations.patch: Likewise.
* debian/patches/openblas_hardcode_includedir.patch: Likewise.
* debian/patches/linux_platform_support.patch: Likewise.
* debian/control (Build-Depends): Added libxc-dev.
* debian/patches/libxc_hardcode_includedir.patch: New patch, fix the cmake
libxc detection to look in the multiarch library directory.
* debian/rules (override_dh_auto_configure): Add EXTERNAL_LIBXC define, set
to the multiarch library directory.
-- Michael Banck <mbanck@debian.org> Sat, 12 Mar 2022 20:15:47 +0100
openmolcas (21.10-1) unstable; urgency=medium
* New upstream release.
* debian/patches/mkl_library_dir.patch: Refreshed.
* debian/patches/pymolcas_default_directories.patch: Likewise.
* debian/patches/install_locations.patch: Likewise.
* debian/patches/openblas_hardcode_includedir.patch: Likewise.
* debian/patches/linux_platform_support.patch: Likewise.
* debian/patches/verify_default_directories.patch: Rewritten.
* debian/openmolcas.install: Remove .plx files, they are no longer present.
* debian/rules (override_dh_auto_build): Target removed, no longer needed.
* debian/rules (override_dh_auto_install): No longer install pymolcas_, file
no longer exists.
-- Michael Banck <mbanck@debian.org> Mon, 03 Jan 2022 00:48:27 +0100
openmolcas (20.10-2) unstable; urgency=medium
* debian/rules (FFLAGS): New environment variable, add
-fno-expensive-optimizations to the default Fortran flags.
-- Michael Banck <mbanck@debian.org> Sat, 02 Jan 2021 00:52:15 +0100
openmolcas (20.10-1) unstable; urgency=medium
* New upstream release.
* debian/patches/mkl_library_dir.patch: Refreshed.
* debian/patches/pymolcas_default_directories.patch: Likewise.
* debian/patches/verify_default_directories.patch: Likewise.
* debian/patches/install_locations.patch: Likewise.
* debian/patches/openblas_hardcode_includedir.patch: Likewise.
* debian/patches/linux_platform_support.patch: Likewise.
* debian/patches/cisandbox_compilation_fixes.patch: Removed, no longer
needed.
* debian/patches/fix_doc_build.patch: Likewise.
-- Michael Banck <mbanck@debian.org> Fri, 01 Jan 2021 16:40:25 +0100
openmolcas (19.11-5) unstable; urgency=medium
* Reuploading from the git repository, the 19.11-4 source package in the
Debian archive has additional changes which makes it FTFBS, Closes:
#960820.
-- Michael Banck <mbanck@debian.org> Mon, 18 May 2020 22:01:21 +0200
openmolcas (19.11-4) unstable; urgency=medium
* debian/tests/testsuite.sh: Include test 001, as it failed on the arm64
debci builder.
-- Michael Banck <mbanck@debian.org> Fri, 06 Mar 2020 13:19:44 +0100
openmolcas (19.11-3) unstable; urgency=medium
* debian/tests/testsuite.sh: Dump output/error files if test cases fail.
* debian/openmolcas.install: Install the following additional pymolcas
scripts: find_sources, have_feature, help_basis, help_doc, modulenames.plx,
updatetest.plx and version.
* debian/tests/testsuite.sh: Only run a small subset of tests.
-- Michael Banck <mbanck@debian.org> Thu, 05 Mar 2020 22:55:06 +0100
openmolcas (19.11-2) unstable; urgency=medium
* debian/control (Description): Add main capabilities.
* debian/patches/linux_platform_support.patch: New patch, sets PLATFORM to
Linux independent of CPU type.
-- Michael Banck <mbanck@debian.org> Wed, 04 Mar 2020 10:02:44 +0100
openmolcas (19.11-1) unstable; urgency=medium
* Initial release.
-- Michael Banck <mbanck@debian.org> Thu, 26 Dec 2019 20:57:17 +0100