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 Open-Source ultimaker ultimaker (Ultimaker) / debian-backup Project
A certifiably-awesome open-source package repository curated by Ultimaker, hosted by Cloudsmith.
Note: Packages in this repository are licensed as GNU General Public License v3.0 or later (dependencies may be licensed differently).

Debian logo ghemical  3.0.0-4

One-liner (summary)

GNOME molecular modelling environment

Description

Ghemical is a computational chemistry software package written in C++. It has a graphical user interface and it supports both quantum- mechanics (semi-empirical) models and molecular mechanics models. Geometry optimization, molecular dynamics and a large set of visualization tools using OpenGL are currently available.

Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package (Public Domain), and are included in the package. The MPQC package is used to provide ab initio methods: the methods based on Hartree-Fock theory are currently supported with basis sets ranging from STO-3G to 6-31G**.

License

Unknown

Size

1.7 MB

Downloads

5

Status  Completed
Checksum (MD5) 5ed4e4915aabb6c21876308063a4122d
Checksum (SHA-1) 2964e45c0a410cd3eb89488d3047ae7bf3eaef68
Checksum (SHA-256) 0340ac6916758d8f1564dd7bc525374ae63578f23d0bb0fc46330bf628aa095f
Checksum (SHA-512) 8401a9e25c9168c6a2af05942e7c7bc4635907efbb18d7f9a44187f784659b3065…
GPG Signature
GPG Fingerprint c0a114330029b468b1146f70c334efcb2c4f9be3
Distribution debian/buster - Debian - 10 (Buster)
Storage Region  Dublin, Ireland
Type  Binary (contains binaries and binary artifacts)
Uploaded At 1 year, 1 month ago
Uploaded By alex-borro
Slug Id ghemical_300-4_arm64deb-zvuu
Unique Id nLcSHpVG300k
Version (Raw) 3.0.0-4
Version (Parsed)
  • Major: 3
  • Minor: 0
  • Patch: 0
  • Pre (Str): (empty)
  • Pre (Num Array): 4
  • Type: SemVer (Strict)
  extended metadata
Homepage http://bioinformatics.org/ghemical/ghemical/
Installed Size 2.7 MB
Maintainer Debichem Team <debichem-devel@lists.alioth.debian.org>
Priority optional
Section gnome
pkg ghemical_3.0.0-4_arm64.deb 5
1.7 MB
md5 sha1 sha256 sha512
Package Contents (ghemical_3.0.0-4_arm64.deb)
Loading...

This package has 200 files/directories.

Dependencies

20

Checksum (md5)

47558a1be8d030c35535eb6dea9c5d9d

Depends
libc6 >=2.17
Depends
libgcc1 >=1:3.0
Depends
libgdk-pixbuf2.0-0 >=2.22.0
Depends
libghemical5v5
Depends
libgl1
Depends
libglade2-0 >=1:2.6.4-2~
Depends
libglib2.0-0 >=2.31.8
Depends
libglu1
Depends
libglu1-mesa
Depends
libgtk2.0-0 >=2.8.0
Depends
libgtkglext1
Depends
liboglappth2
Depends
libopenbabel5
Depends
libpango-1.0-0 >=1.14.0
Depends
libstdc++6 >=5.2
Depends
mpqc
Recommends
xfonts-100dpi
Recommends
xfonts-100dpi-transcoded
Recommends
xfonts-75dpi
Recommends
xfonts-75dpi-transcoded

You can embed a badge in another website that shows this or the latest version of this package.

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[![This version of 'ghemical' @ Cloudsmith](https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true)](https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/)
|This version of 'ghemical' @ Cloudsmith|
.. |This version of 'ghemical' @ Cloudsmith| image:: https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true
   :target: https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/
image::https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true[link="https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/",title="This version of 'ghemical' @ Cloudsmith"]
<a href="https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/"><img src="https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/3.0.0-4/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true" alt="This version of 'ghemical' @ Cloudsmith" /></a>

rendered as: This version of 'ghemical' @ Cloudsmith

To embed the badge for the latest package version, use the following:

[![Latest version of 'ghemical' @ Cloudsmith](https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true&show_latest=true)](https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/)
|Latest version of 'ghemical' @ Cloudsmith|
.. |Latest version of 'ghemical' @ Cloudsmith| image:: https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true&show_latest=true
   :target: https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/
image::https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true&show_latest=true[link="https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/",title="Latest version of 'ghemical' @ Cloudsmith"]
<a href="https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/"><img src="https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/ghemical/latest/a=arm64;xc=main;d=debian%252Fbuster;t=binary/?render=true&show_latest=true" alt="Latest version of 'ghemical' @ Cloudsmith" /></a>

rendered as: Latest version of 'ghemical' @ Cloudsmith

These instructions assume you have setup the repository first (or read it).

To install/use ghemical @ version 3.0.0-4 ...

To install packages, you can quickly setup the repository automatically (recommended):

curl -1sLf \
  'https://dl.cloudsmith.io/public/ultimaker/debian-backup/setup.deb.sh' \
  | sudo -E bash

If you need to force a specific distribution, release/version, architecture, or component (if supported), you can also do that (e.g. if your system is compatible but not identical):

curl -1sLf \
  'https://dl.cloudsmith.io/public/ultimaker/debian-backup/setup.deb.sh' \
  | sudo -E distro=debian codename=buster arch=ARCH component=COMPONENT bash

or ... you can manually configure it yourself before installing packages:

apt-get install -y debian-keyring  # debian only
apt-get install -y debian-archive-keyring  # debian only
apt-get install -y apt-transport-https
# For Debian Stretch, Ubuntu 16.04 and later
keyring_location=/usr/share/keyrings/ultimaker-debian-backup-archive-keyring.gpg
# For Debian Jessie, Ubuntu 15.10 and earlier
keyring_location=/etc/apt/trusted.gpg.d/ultimaker-debian-backup.gpg
curl -1sLf 'https://dl.cloudsmith.io/public/ultimaker/debian-backup/gpg.C334EFCB2C4F9BE3.key' |  gpg --dearmor >> ${keyring_location}
curl -1sLf 'https://dl.cloudsmith.io/public/ultimaker/debian-backup/config.deb.txt?distro=debian&codename=buster&component=main' > /etc/apt/sources.list.d/ultimaker-debian-backup.list
sudo chmod 644 ${keyring_location}
sudo chmod 644 /etc/apt/sources.list.d/ultimaker-debian-backup.list
apt-get update
sudo apt-get install ghemical=3.0.0-4
Warning: Note that this package is for Debian 10 (Buster) / arm64 and may only work for that configuration.
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