abinit 9.2.2-1 source package in Ubuntu
Changelog
abinit (9.2.2-1) unstable; urgency=medium
* New upstream release.
* debian/patches/build-system-python3.patch: Refreshed.
* debian/patches/fix_gfortran-9_compile_error.patch: Likewise.
* debian/patches/testsuite_autopkgtest.patch: Likewise.
* debian/patches/enable_pstricks_with_pdflatex.patch: Removed, no longer
needed.
* debian/patches/disable_abisrc.patch: Likewise.
* debian/control (Build-Depends): Added libfftw3-dev, libhdf5-dev,
libnetcdf-dev, libnetcdff-dev, libxc-dev, mpi-default-dev, python3-dev,
python3-numpy, python3-pandas and python3-yaml.
* debian/tests/control (Depends): Added python3-yaml, python3-numpy and
python3-pandas.
* debian/rules (override_dh_auto_install-indep): Updated for new
pseudo-potenital subdirectories.
* debian/abinit-data.install: Likewise.
* debian/control (abinit/Depends): Added mpi-default-bin.
* debian/rules (override_dh_auto_clean): Remove symlinks not cleaned up by
build system and run makemake --clean.
* debian/rules (override_dh_autoreconf): Only run makemake if Makefile.am
does not exist already.
* debian/abinit-doc.install: Remove no longer existing directory.
* debian/rules (override_dh_auto_configure): Add configure option for libxc,
netcdf and netcdf-fortran.
* debian/salsa-ci.yml: New file.
-- Michael Banck <email address hidden> Sun, 21 Feb 2021 11:25:14 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| abinit_9.2.2-1.dsc | 2.4 KiB | b91899b3f5da406252937412ea61f6ad3796935e10780ac3a2763eddb5ee878d |
| abinit_9.2.2.orig.tar.gz | 94.4 MiB | 29511bbc4f4e318cf3676aafdfea48ce2beb8ab6bd64062bd38d516fc02a8543 |
| abinit_9.2.2-1.debian.tar.xz | 13.9 KiB | 2f456d2938c095a01163561823a3e420b766682dad2cba77b4e12f24f8c19205 |
Available diffs
- diff from 8.10.3-3 to 9.2.2-1 (103.0 MiB)
No changes file available.
Binary packages built by this source
- abinit: No summary available for abinit in ubuntu hirsute.
No description available for abinit in ubuntu hirsute.
- abinit-data: package for electronic structure calculations (Data files)
ABINIT is a package whose main program allows one to find the total energy,
charge density and electronic structure of systems made of electrons and
nuclei (molecules and periodic solids) within Density Functional Theory (DFT),
using pseudopotentials and a planewave basis.
.
ABINIT also includes options to optimize the geometry according to the DFT
forces and stresses, or to perform molecular dynamics simulations using these
forces, or to generate dynamical matrices, Born effective charges, and
dielectric tensors. Excited states can be computed within the Time-Dependent
Density Functional Theory (for molecules), or within Many-Body Perturbation
Theory (the GW approximation). In addition to the main ABINIT code, different
utility programs are provided.
.
This package contains a set of pseudopotentials and example inputs.
- abinit-dbgsym: No summary available for abinit-dbgsym in ubuntu hirsute.
No description available for abinit-dbgsym in ubuntu hirsute.
- abinit-doc: No summary available for abinit-doc in ubuntu hirsute.
No description available for abinit-doc in ubuntu hirsute.
