- 28 Feb, 2017 1 commit
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Adam Huffman authored
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- 27 Feb, 2017 3 commits
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Kenneth Hoste authored
{bio}[intel/2016b] ea-utils v1.04.807
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Kenneth Hoste authored
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Kenneth Hoste authored
fix version (& homepage) in ea-utils easyconfigs
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- 26 Feb, 2017 1 commit
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Kenneth Hoste authored
Switch to lowopt=True for libxc v2.2.* and v3.*
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- 25 Feb, 2017 6 commits
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Kenneth Hoste authored
{devel}[*] CMake: Set CMAKE_PREFIX_PATH to ncurses install directory
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Toon Verstraelen authored
Consistency across all eb files reduces the risk that this problem gets reintroduced.
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Kenneth Hoste authored
remove custom sanity_check_paths, since it's identical to that used by the R easyblock
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Toon Verstraelen authored
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Toon Verstraelen authored
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Kenneth Hoste authored
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- 24 Feb, 2017 12 commits
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Kenneth Hoste authored
{data}[intel/2016b] PyTables v3.2.3.1
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Kenneth Hoste authored
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Kenneth Hoste authored
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Kenneth Hoste authored
{bio}[dummy/dummy] MEGA v7.0.20-1
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Kenneth Hoste authored
{lib}[intel/2016b] Yade v2017.01a, libQGLViewer v2.6.4, minieigen v0.5.3
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Kenneth Hoste authored
add sanity check command to Yade easyconfig to make sure that 'import yade' works, include bzip2 as dep
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Kenneth Hoste authored
add patch for Boost v1.61-1.63 to fix problem with make_array/array_wrapper in boost serialization library
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Kenneth Hoste authored
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Toon Verstraelen authored
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Markus Geimer authored
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Kenneth Hoste authored
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Toon Verstraelen authored
I've noticed that some functionals in LibXC give significantly different results with too much compiler optimization. For example, the energy of a water molecule computed with the TPSS functional changes by 6.5 kJ/mol with lowopt=False. (The problem is in the TPSS correlation functional, somewhere in mgga_c_pkzb.c. I've ruled out numerical integration issues. Similar relative errors appear on every grid point of the tpss_c energy density.) I can only test with libx-2.2.* and intel compilers at the moment. I'll make similar changes for other versions and compilers when the opportunity arises.
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- 23 Feb, 2017 17 commits
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Kenneth Hoste authored
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Markus Geimer authored
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Markus Geimer authored
Include ccmake in sanity check
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Kenneth Hoste authored
more style fixes
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Kenneth Hoste authored
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Kenneth Hoste authored
add patch for Boost v1.61-1.63 to fix problem with make_array/array_wrapper in boost serialization library
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Kenneth Hoste authored
add sanity check command to Yade easyconfig to make sure that 'import yade' works, include bzip2 as dep
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Kenneth Hoste authored
add sanity check command to Yade easyconfig to make sure that 'import yade' works, include bzip2 as dep
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Kenneth Hoste authored
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Kenneth Hoste authored
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Kenneth Hoste authored
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Kenneth Hoste authored
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Kenneth Hoste authored
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Kenneth Hoste authored
bump VTK to 7.1.0 in meshio easyconfig for compatibility with Yade 2017.01a
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Kenneth Hoste authored
meRanTK-1.1.1b added
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Kenneth Hoste authored
{lib}[intel/2016b] igraph 0.7.1 (REVIEW)
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Robert authored
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