Publishing details

• Published on 2020-03-10
• Copied from debian sid in Primary Archive for Debian GNU/Linux by Ubuntu Archive Auto-Sync (sponsored by Ubuntu Archive Robot)

Changelog

nwchem (7.0.0-2) unstable; urgency=medium

  * debian/patches/17_pspw_scalapack.patch: New patch, fixes PSPW with
    ScaLAPACK, by Edoardo Apra.
  * debian/patches/18_mcscf_scalapack.patch: New patch, fixes MCSCF with
    ScaLAPACK, by Edoardo Apra.
  * debian/rules (SCALAPACK_SIZE): New variable.
  * debian/control (Build-Depends): Bump required libarmci-mpi-dev version to
    0.3.1~beta.
  * debian/control (Build-Depends): Replaced python-dev with python3-dev
    (Closes: #937171).
  * debian/rules: Switch to python3 dh module.
  * debian/control (Build-Depends): Added dh-python.
  * debian/testsuite: Run pyqa3 test instead of pyqa, by Edoardo Apra.
  * debian/testsuite: Reactive test cases cosmo_h3co, dft_he2+ and qmmm_grad0.
  * debian/control (Build-Depends): Bump required libglobalarrays-dev version
    to 5.7.2-2.
  * debian/patches/16_disable_peigs.patch: Removed, no longer needed.

 -- Michael Banck <email address hidden>  Sun, 08 Mar 2020 20:45:32 +0100

Builds

• amd64
• arm64
• armhf
• ppc64el
• riscv64
• s390x

Built packages

• nwchem High-performance computational chemistry software

• nwchem-data High-performance computational chemistry software (data files)

• nwchem-dbgsym debug symbols for nwchem

Package files

• nwchem-data_7.0.0-2_all.deb (5.8 MiB)
• nwchem-dbgsym_7.0.0-2_amd64.ddeb (22.8 MiB)
• nwchem-dbgsym_7.0.0-2_arm64.ddeb (23.4 MiB)
• nwchem-dbgsym_7.0.0-2_armhf.ddeb (22.4 MiB)
• nwchem-dbgsym_7.0.0-2_ppc64el.ddeb (23.2 MiB)
• nwchem-dbgsym_7.0.0-2_s390x.ddeb (22.4 MiB)
• nwchem_7.0.0-2.debian.tar.xz (19.9 KiB)
• nwchem_7.0.0-2.dsc (2.2 KiB)
• nwchem_7.0.0-2_amd64.deb (11.9 MiB)
• nwchem_7.0.0-2_arm64.deb (9.8 MiB)
• nwchem_7.0.0-2_armhf.deb (9.7 MiB)
• nwchem_7.0.0-2_ppc64el.deb (9.7 MiB)
• nwchem_7.0.0-2_s390x.deb (9.2 MiB)
• nwchem_7.0.0.orig.tar.gz (180.4 MiB)