diff --git a/q/QtiPlot/qtiplot-1.0.0.eb b/q/QtiPlot/qtiplot-1.0.0.eb new file mode 100644 index 00000000..7aa7379d --- /dev/null +++ b/q/QtiPlot/qtiplot-1.0.0.eb @@ -0,0 +1,21 @@ +easyblock = 'Binary' + +name = 'QtiPlot' +version = '1.0.0' + +homepage = "https://www.qtiplot.com/" +description = """QtiPlot is a cross-platform scientific application for data analysis and visualisation.""" + +toolchain = SYSTEM + +sources = ["qtiplot-1.0.0-rc14.tar.gz"] + +extract_sources = True + +sanity_check_paths = { + 'files': ['qtiplot', 'assistant'], + 'dirs': ['fitPlugins', 'jodconverter', 'manual'], +} + +moduleclass = 'vis' + diff --git a/r/ReSpect/ReSpect-5.1.0.eb b/r/ReSpect/ReSpect-5.1.0.eb new file mode 100644 index 00000000..f051298f --- /dev/null +++ b/r/ReSpect/ReSpect-5.1.0.eb @@ -0,0 +1,24 @@ +easyblock = 'Binary' + +name = 'ReSpect' +version = '5.1.0' + +homepage = "http://www.respectprogram.org/index.html" +description = """ReSpect is a computer simulation program enabling the prediction and understanding of molecular and material properties from advanced first-principle relativistic DFT calculations.""" + +toolchain = SYSTEM + +# have to write an email to authors to get download link +# ownership set to root:respect!!! members of the respect approved by authors +sources = ["ReSpect_5.1.0_beta_x86_64_OMP_intel-18.3_static.tar.gz"] + +extract_sources = True + +sanity_check_paths = { + 'files': ['ReSpect-mDKS.x', 'ehmacc.x', 'mDKS-pNMR.x', 'respect', 'test/testrs.py'], + 'dirs': ['basis', 'tutorial', 'test', 'util', 'test/1c-properties', 'test/grid', 'test/MAG', 'test/method', 'test/prop1', 'test/tdscf'], +} + + + +moduleclass = 'phys'