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new file: b/Bison/Bison-3.7.6-GCCcore-10.2.0.eb new file: b/bwidget/bwidget-1.9.14-GCCcore-10.2.0.eb new file: d/DFTB+/DFTB+-21.1-intel-2020a-Python-3.8.2.eb new file: g/GDRCopy/GDRCopy-2.1-NVHPC-21.2-CUDA-11.2.0.eb new file: g/GDRCopy/GDRCopy-2.1-NVHPC-21.2-CUDA-11.2.2.eb new file: g/GDRCopy/GDRCopy-2.1-NVHPC-21.2-CUDA-11.3.0.eb new file: g/git/git-2.31.1.eb new file: m/MATLAB/MATLAB-2021a.eb new file: m/Molpro/Molpro-mpp-2021.1.0.linux_x86_64_openmp.eb new file: o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.2.2.eb new file: o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.3.0.eb new file: "o/OpenMPI/\\" new file: s/SoX/SoX-14.4.2-intel-2020b.eb modified: s/SoX/SoX-14.4.2.eb new file: t/Tcl/Tcl-8.6.11-GCCcore-10.2.0.eb new file: t/Tk/Tk-8.6.11-GCCcore-10.2.0.eb new file: t/Togl/Togl-2.0-GCCcore-10.2.0.eb new file: t/Togl/Togl-2.0_configure.patch new file: t/Togl/Togl-2.0_decl.patch new file: u/UCX/UCX-1.10.1-NVHPC-21.2-CUDA-11.3.0.eb new file: u/UCX/UCX-1.9.0-NVHPC-21.2-CUDA-11.2.2.eb new file: u/UCX/UCX-1.9.0-NVHPC-21.2-CUDA-11.3.0.eb new file: x/XCrySDen/XCrySDen-1.6.2-intel-2020b.eb
31 lines
750 B
Plaintext
31 lines
750 B
Plaintext
# IT4Innovations 2021
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# JK
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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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description = """XCrySDen is a crystalline and molecular structure visualisation program aiming
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at display of isosurfaces and contours, which can be superimposed on crystalline structures and
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interactively rotated and manipulated."""
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toolchain = {'name': 'intel', 'version': '2020b'}
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toolchainopts = {'vectorize': False}
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source_urls = ["http://www.xcrysden.org/download/"]
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sources = [SOURCELOWER_TAR_GZ]
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local_tcltk_ver = '8.6.11'
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dependencies = [
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('Tcl', local_tcltk_ver),
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('Tk', local_tcltk_ver),
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('Togl', '2.0'),
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('X11', '20201008'),
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('libGLU', '9.0.1'),
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('bwidget', '1.9.14'),
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]
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parallel = 1
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moduleclass = 'vis'
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