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new file: b/bwidget/bwidget-1.9.15-GCCcore-11.3.0.eb.bak_20220823112125_58813 modified: t/Togl/Togl-2.0-GCCcore-11.3.0.eb modified: x/XCrySDen/XCrySDen-1.6.2-foss-2022a.eb modified: x/XCrySDen/XCrySDen-1.6.2-intel-2022a.eb modified: x/XCrySDen/XCrysDen-1.6.2-no-bwidget-tcl-download.patch
41 lines
1.4 KiB
Plaintext
41 lines
1.4 KiB
Plaintext
# Contribution from IT4Innovations National Supercomputing Center, Czech Republic
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# Jakub Kropacek, 2022
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name = 'XCrySDen'
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version = '1.6.2'
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homepage = "http://www.xcrysden.org/"
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docurls = "http://www.xcrysden.org/Documentation.html"
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description = """
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XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces
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and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated.
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It also possesses some tools for analysis of properties in reciprocal space such as interactive selection
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of k-paths in the Brillouin zone for the band-structure plots, and visualisation of Fermi surfaces.
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"""
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toolchain = {'name': 'intel', 'version': '2022a'}
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source_urls = ["http://www.xcrysden.org/download/"]
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sources = [SOURCELOWER_TAR_GZ]
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patches = ['XCrysDen-1.6.2-no-bwidget-tcl-download.patch']
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checksums = [
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'811736ee598bec1a5b427fd10e4e063a30dd7cadae96a43a50b36ce90a4f503f', # xcrysden-1.6.2.tar.gz
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'e5f79c77116c6faf441d63f62bb3d22c5520163995b28e505d2168424a587bac', # XCrysDen-1.6.2-no-bwidget-tcl-download.patch
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]
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dependencies = [
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('Togl', '2.0'),
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('Mesa', '22.0.3'),
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('libGLU', '9.0.2'),
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('bwidget', '1.9.15'),
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]
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sanity_check_commands = [
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'xcrysden --help',
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# requires DISPLAY
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#'xcrysden --xsf $EBROOTXCRYSDEN/share/%(namelower)s-%(version)s/examples/XSF_Files/GaAsH.xsf --print output.png \
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# && rm output.png',
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]
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moduleclass = 'vis'
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