mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-15 03:11:22 +01:00
43 lines
1.5 KiB
Plaintext
43 lines
1.5 KiB
Plaintext
# Institution: IT4Innovations National Supercomputing Center, Czech Republic
|
|
# Author: Jakub Kropacek
|
|
# License: GPLv3
|
|
# Year: 2022
|
|
|
|
name = 'XCrySDen'
|
|
version = '1.6.2'
|
|
|
|
homepage = "http://www.xcrysden.org/"
|
|
docurls = "http://www.xcrysden.org/Documentation.html"
|
|
description = """
|
|
XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces
|
|
and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated.
|
|
It also possesses some tools for analysis of properties in reciprocal space such as interactive selection
|
|
of k-paths in the Brillouin zone for the band-structure plots, and visualisation of Fermi surfaces.
|
|
"""
|
|
|
|
toolchain = {'name': 'intel', 'version': '2022a'}
|
|
|
|
source_urls = ["http://www.xcrysden.org/download/"]
|
|
sources = [SOURCELOWER_TAR_GZ]
|
|
patches = ['XCrysDen-1.6.2-no-bwidget-tcl-download.patch']
|
|
checksums = [
|
|
'811736ee598bec1a5b427fd10e4e063a30dd7cadae96a43a50b36ce90a4f503f', # xcrysden-1.6.2.tar.gz
|
|
'4e2aaf0daa4b80f71bed3061d61e8490694f60cf511275282d77c1fd8be4a812', # XCrysDen-1.6.2-no-bwidget-tcl-download.patch
|
|
]
|
|
|
|
dependencies = [
|
|
('Togl', '2.0'),
|
|
('Mesa', '22.0.3'),
|
|
('libGLU', '9.0.2'),
|
|
('bwidget', '1.9.15'),
|
|
]
|
|
|
|
sanity_check_commands = [
|
|
'xcrysden --help',
|
|
# requires DISPLAY
|
|
'xcrysden --xsf $EBROOTXCRYSDEN/share/%(namelower)s-%(version)s/examples/XSF_Files/GaAsH.xsf --print output.png \
|
|
&& rm output.png ',
|
|
]
|
|
|
|
moduleclass = 'vis'
|