atomes 1.1.12+repack-2 source package in Ubuntu
Changelog
atomes (1.1.12+repack-2) unstable; urgency=medium
* Team upload
* Removing -fstack-protector-strong from FCFLAGS on arm64 to circumvent gcc
bug 111528
-- Pierre Gruet <email address hidden> Wed, 27 Sep 2023 09:41:46 +0200
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| atomes_1.1.12+repack-2.dsc | 2.2 KiB | 1a7c94749cdf35f3ce2db0c88407f8d103ef24cf52e062634b7e81c57c51d5c5 |
| atomes_1.1.12+repack.orig.tar.gz | 3.3 MiB | c9a540d0492f8c6b4d829b7cb8df5fc2fa5cf6374ee4e3c13f90865e9303d143 |
| atomes_1.1.12+repack-2.debian.tar.xz | 13.8 KiB | e30bdc0598a30c7fb1bf1340a02015b92b2e013832b98970b685b8be902595d1 |
No changes file available.
Binary packages built by this source
- atomes: atomic-scale 3D modeling toolbox
Atomes is a tool box to analyze (physico-chemical properties calculations),
visualize (atoms, bonds, colormaps, measurements, coordination polyedra ...)
create (crystal builder, molecular library, surface creation and
passivation ...) 3D atomistic models.
Atomes offers a workspace capable of handling many projects opened
simultaneously.
The different projects in the workspace can exchange data: analysis results,
atomic coordinates...
Atomes also provides an advanced input preparation system for further
calculations using well known molecular dynamics codes:
Classical MD: DLPOLY and LAMMPS
- ab-initio MD: CPMD and CP2K
- QM-MM MD: CPMD and CP2K
To prepare the input files for these calculations is likely to be the key, and
most complicated step towards MD simulations.
Atomes offers a user-friendly assistant to help and guide the scientist step
by step to achieve this crucial step.
.
This package provides the binaries.
- atomes-data: atomic-scale 3D modeling toolbox (data)
Atomes is a tool box to analyze (physico-chemical properties calculations),
visualize (atoms, bonds, colormaps, measurements, coordination polyedra ...)
create (crystal builder, molecular library, surface creation and
passivation ...) 3D atomistic models.
Atomes offers a workspace capable of handling many projects opened
simultaneously.
The different projects in the workspace can exchange data: analysis results,
atomic coordinates...
Atomes also provides an advanced input preparation system for further
calculations using well known molecular dynamics codes:
Classical MD: DLPOLY and LAMMPS
- ab-initio MD: CPMD and CP2K
- QM-MM MD: CPMD and CP2K
To prepare the input files for these calculations is likely to be the key, and
most complicated step towards MD simulations.
Atomes offers a user-friendly assistant to help and guide the scientist step
by step to achieve this crucial step.
.
This package contains data files for atomes.
- atomes-dbgsym: debug symbols for atomes
