new file: x/XCrySDen/XCrySDen-1.6.2-foss-2022a.eb

x/XCrySDen/XCrySDen-1.6.2-foss-2022a.eb

@@ -0,0 +1,41 @@
+# IT4Innovations 2022
+# JK
+
+name = 'XCrySDen'
+version = '1.6.2'
+
+homepage = "http://www.xcrysden.org/"
+description = """
+XCrySDen is a crystalline and molecular structure visualisation program aiming
+at display of isosurfaces and contours, which can be superimposed on
+crystalline structures and interactively rotated and manipulated.
+"""
+docurls = "http://www.xcrysden.org/Documentation.html"
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+source_urls = ["http://www.xcrysden.org/download/"]
+sources = [SOURCELOWER_TAR_GZ]
+patches = ['XCrysDen-1.6.2-no-bwidget-tcl-download.patch']
+checksums = [
+    '811736ee598bec1a5b427fd10e4e063a30dd7cadae96a43a50b36ce90a4f503f',  # xcrysden-1.6.2.tar.gz
+    '4e2aaf0daa4b80f71bed3061d61e8490694f60cf511275282d77c1fd8be4a812',  # XCrysDen-1.6.2-no-bwidget-tcl-download.patch
+]
+
+dependencies = [
+    ('Togl', '2.0'),
+    ('Mesa', '22.0.3'),
+    ('libGLU', '9.0.2'),
+    ('bwidget', '1.9.15'),
+]
+
+prebuildopts = "export LDLIB='-ldl -Wl,--allow-multiple-definition' &&"
+
+sanity_check_commands = [
+    'xcrysden --help',
+    # requires DISPLAY
+    'xcrysden --xsf $EBROOTXCRYSDEN/share/%(namelower)s-%(version)s/examples/XSF_Files/GaAsH.xsf --print output.png \
+     && rm output.png ',
+]
+
+moduleclass = 'vis'