lukasplevac/easyconfigs-it4i
1
0
Fork 0
mirror of https://code.it4i.cz/sccs/easyconfigs-it4i.git synced 2025-04-19 05:00:50 +01:00
Code Issues Packages Projects Releases Wiki Activity

Merge branch 'it4i-karolina'

Browse Source
This commit is contained in:
Jakub Kropacek 2022-08-23 10:25:17 +02:00 committed by anselmicz
commit cf4f2b2249
No known key found for this signature in database
GPG Key ID: 5271768D6FEA96BC
2 changed files with 16 additions and 7 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

17
x/XCrySDen/XCrySDen-1.6.2-intel-2022a.eb
View File

@ -1,16 +1,19 @@
# IT4Innovations 2022 # Institution: IT4Innovations National Supercomputing Center, Czech Republic
# JK # Author: Jakub Kropacek
# License: GPLv3
# Year: 2022
name = 'XCrySDen' name = 'XCrySDen'
version = '1.6.2' version = '1.6.2'
homepage = "http://www.xcrysden.org/" homepage = "http://www.xcrysden.org/"
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.
"""
docurls = "http://www.xcrysden.org/Documentation.html" 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'} toolchain = {'name': 'intel', 'version': '2022a'}

6
x/XCrySDen/XCrysDen-1.6.2-no-bwidget-tcl-download.patch
View File

@ -1,3 +1,9 @@
# Institution: IT4Innovations National Supercomputing Center, Czech Republic
# Author: Jakub Kropacek
# License: GPLv3
# Year: 2022
#
# Do not download and build own BWidget and Tcl; use modules instead.
diff -Nru xcrysden-1.6.2.orig/Makefile xcrysden-1.6.2/Makefile diff -Nru xcrysden-1.6.2.orig/Makefile xcrysden-1.6.2/Makefile
--- xcrysden-1.6.2.orig/Makefile 2022-08-23 08:23:59.130921000 +0200 --- xcrysden-1.6.2.orig/Makefile 2022-08-23 08:23:59.130921000 +0200
+++ xcrysden-1.6.2/Makefile 2022-08-23 08:39:27.632777181 +0200 +++ xcrysden-1.6.2/Makefile 2022-08-23 08:39:27.632777181 +0200