new file: o/OVITO/OVITO-3.11.0-gompi-2022b-basic.eb

o/OVITO/OVITO-3.11.0-gompi-2022b-basic.eb

@@ -0,0 +1,54 @@
+# IT4Innovations 
+# LK 2024
+
+easyblock = 'CMakeMake'
+
+name = 'OVITO'
+version = '3.11.0'
+versionsuffix = '-basic'
+
+homepage = 'https://www.ovito.org/'
+description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data."""
+
+toolchain = {'name': 'gompi', 'version': '2022b'} 
+
+source_urls = ['https://gitlab.com/stuko/ovito/-/archive/v%(version)s/']
+sources = ['ovito-v%(version)s.tar.gz']
+checksums = ['32041cd3d023d2e2e24222d61b096743b7f6c5ba6c96b29f7e0fb291ff5b638e']
+
+builddependencies = [
+    ('binutils', '2.39'),
+    ('CMake', '3.24.3'),
+]
+
+dependencies = [
+    ('Qt6', '6.6.0'),
+#    ('Qt5', '5.15.7'),
+    ('HDF5', '1.14.0'),
+    ('netCDF', '4.9.0'),
+    ('FFmpeg', '5.1.2'),
+    ('zlib', '1.2.12'),
+    ('Boost', '1.81.0'),
+    ('libglvnd', '1.6.0'),
+    ('Python', '3.10.8'),
+]
+
+import os
+if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
+    postinstallcmds = [
+        'rm %(installdir)s/lib/ovito/libcrypto.so.1.1',
+        'ln -s /lib64/libcrypto.so.1.1 %(installdir)s/lib/ovito/',
+]
+
+sanity_check_paths = {
+    'files': ['bin/ovito'],
+    'dirs': ['bin'],
+}
+
+#sanity_check_commands = ['ovito --nogui --noviewports --help']
+
+modextravars = {
+    'OVITO_LICENSING_VERBOSE': '1',
+}
+
+moduleclass = 'vis'