From 705e0fda82ece4861b1271940049fd29236905e7 Mon Sep 17 00:00:00 2001
From: Lukas Krupcik <lukas.krupcik@vsb.cz>
Date: Wed, 11 Aug 2021 09:20:41 +0200
Subject: [PATCH] new file: q/QtiPlot/qtiplot-1.0.0.eb new file:
r/ReSpect/ReSpect-5.1.0.eb
---
q/QtiPlot/qtiplot-1.0.0.eb | 21 +++++++++++++++++++++
r/ReSpect/ReSpect-5.1.0.eb | 24 ++++++++++++++++++++++++
2 files changed, 45 insertions(+)
create mode 100644 q/QtiPlot/qtiplot-1.0.0.eb
create mode 100644 r/ReSpect/ReSpect-5.1.0.eb
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'