Package "nwchem-data"
| Name: |
nwchem-data
|
Description: |
High-performance computational chemistry software (data files)
|
| Latest version: |
7.0.0-2 |
| Release: |
focal (20.04) |
| Level: |
base |
| Repository: |
universe |
| Head package: |
nwchem |
| Homepage: |
http://www.nwchem-sw.org |
Links
Download "nwchem-data"
Other versions of "nwchem-data" in Focal
No other version of this package is available
in the Focal release.
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
|
| 937171 |
nwchem: Python2 removal in sid/bullseye |
|
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