Package "nwchem"
| Name: |
nwchem
|
Description: |
High-performance computational chemistry software
|
| Latest version: |
7.0.0-2 |
| Release: |
focal (20.04) |
| Level: |
base |
| Repository: |
universe |
| Homepage: |
http://www.nwchem-sw.org |
Links
Download "nwchem"
Other versions of "nwchem" in Focal
No other version of this package is available
in the Focal release.
Packages in group
Deleted packages are displayed in grey.
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 |
|
About
-
Send Feedback to @ubuntu_updates
