Merge pull request #22227 from Micket/20250129010653_new_pr_XCrySDen162

{vis}[GCCcore/13.3.0] XCrySDen v1.6.2, Togl v2.0, bwidget v1.10.1

easybuild/easyconfigs/b/bwidget/bwidget-1.10.1-GCCcore-13.3.0.eb

@@ -0,0 +1,26 @@
+easyblock = 'Tarball'
+
+name = 'bwidget'
+version = '1.10.1'
+
+homepage = 'https://core.tcl-lang.org/bwidget/home'
+description = 'The BWidget Toolkit is a high-level Widget Set for Tcl/Tk built using native Tcl/Tk 8.x namespaces.'
+
+toolchain = {'name': 'GCCcore', 'version': '13.3.0'}
+
+source_urls = ['https://downloads.sourceforge.net/project/tcllib/BWidget/%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['4aea02f38cf92fa4aa44732d4ed98648df839e6537d6f0417c3fe18e1a34f880']
+
+builddependencies = [('binutils', '2.42')]
+
+dependencies = [('Tk', '8.6.14')]
+
+modextrapaths = {'TCLLIBPATH': {'paths': '', 'delimiter': ' '}}
+
+sanity_check_paths = {
+    'files': ['button.tcl'],
+    'dirs': ['BWman', 'demo', 'images', 'lang', 'tests'],
+}
+
+moduleclass = 'vis'

easybuild/easyconfigs/q/quarto/quarto-1.5.57-x64.eb

@@ -0,0 +1,27 @@
+easyblock = 'Tarball'
+
+name = 'quarto'
+version = '1.5.57'
+versionsuffix = '-x64'
+
+homepage = 'https://quarto.org/'
+description = '''
+    An open-source scientific and technical publishing system.
+'''
+
+toolchain = {'name': 'system', 'version': 'system'}
+
+source_urls = ['https://github.com/quarto-dev/quarto-cli/releases/download/v%(version)s/']
+sources = ['quarto-%(version)s-linux-amd64.tar.gz']
+checksums = ['6418effd9f7c8a5f043197bcf1f30a4a2d588de399f23121ecec580ca5133296']
+
+modextrapaths = {'PATH': ''}
+
+sanity_check_paths = {
+    'files': ['bin/quarto'],
+    'dirs': []
+}
+
+sanity_check_commands = ["quarto check"]
+
+moduleclass = 'devel'

easybuild/easyconfigs/s/Sabre/Sabre-2013-09-28-GCC-13.3.0.eb

@@ -0,0 +1,38 @@
+easyblock = 'MakeCp'
+
+name = 'Sabre'
+local_commit = '039a55e'
+version = '2013-09-28'
+
+homepage = 'https://github.com/najoshi/sabre'
+description = """Sabre is a tool that will demultiplex barcoded reads
+ into separate files. It will work on both single-end and paired-end
+ data in fastq format. It simply compares the provided barcodes with
+ each read and separates the read into its appropriate barcode file,
+ after stripping the barcode from the read (and also stripping
+ the quality values of the barcode bases)."""
+
+toolchain = {'name': 'GCC', 'version': '13.3.0'}
+
+source_urls = ['https://github.com/najoshi/sabre/archive/']
+sources = [{'download_filename': '%s.tar.gz' % local_commit, 'filename': SOURCE_TAR_GZ}]
+checksums = ['8101eda078eded6c755d607a83ad5c659023dad9f0f2dadc11445c0ca305bf02']
+
+dependencies = [
+    ('zlib', '1.3.1'),
+]
+
+buildopts = 'CC="$CC" CFLAGS="$CFLAGS"'
+
+files_to_copy = [
+    (['sabre'], 'bin'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/sabre'],
+    'dirs': []
+}
+
+sanity_check_commands = ['sabre --help']
+
+moduleclass = 'bio'

easybuild/easyconfigs/t/Togl/Togl-2.0-GCCcore-13.3.0.eb

@@ -0,0 +1,46 @@
+easyblock = 'ConfigureMake'
+
+name = 'Togl'
+version = '2.0'
+
+homepage = 'https://sourceforge.net/projects/togl/'
+description = """A Tcl/Tk widget for OpenGL rendering."""
+
+toolchain = {'name': 'GCCcore', 'version': '13.3.0'}
+
+source_urls = ['https://downloads.sourceforge.net/project/%(namelower)s/%(name)s/%(version)s/']
+sources = ['%(name)s%(version)s-src.tar.gz']
+patches = [
+    'Togl-2.0_configure.patch',
+    'Togl-2.0_decl.patch',
+]
+checksums = [
+    'b7d4a90bbad3aca618d505ee99e7fd8fb04c829f63231dda2360f557ba3f7610',  # Togl2.0-src.tar.gz
+    'da97f36b60cd107444cd92453809135b14dc1e8775146b3ba0731da8002e6f9f',  # Togl-2.0_configure.patch
+    '05db6b3ca5139f60616d074903883a3070fcfb1eb8c965b0938779b4f9a6ec6a',  # Togl-2.0_decl.patch
+]
+
+builddependencies = [('binutils', '2.42')]
+
+dependencies = [
+    ('Mesa', '24.1.3'),
+    ('Tk', '8.6.14'),
+    ('Tcl', '8.6.14'),
+]
+
+preconfigopts = 'export CFLAGS="$CFLAGS -DTOGL_USE_FONTS=0" && '
+
+configopts = "--prefix=%(installdir)s --exec-prefix=%(installdir)s "
+configopts += "--with-tcl=$EBROOTTCL/lib --with-tk=$EBROOTTK/lib"
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['include', 'lib', 'lib/%(name)s%(version)s'],
+}
+
+modextrapaths = {
+    'LD_LIBRARY_PATH': 'lib/%(name)s%(version)s',
+    'LIBRARY_PATH': 'lib/%(name)s%(version)s',
+}
+
+moduleclass = 'vis'

easybuild/easyconfigs/x/XCrySDen/XCrySDen-1.6.2-foss-2024a.eb

@@ -0,0 +1,40 @@
+name = 'XCrySDen'
+version = '1.6.2'
+
+homepage = "http://www.xcrysden.org/"
+docurls = "http://www.xcrysden.org/Documentation.html"
+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.
+It also possesses some tools for analysis of properties in reciprocal space such as interactive selection
+of k-paths in the Brillouin zone for the band-structure plots, and visualisation of Fermi surfaces.
+"""
+
+toolchain = {'name': 'foss', 'version': '2024a'}
+
+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
+    'e5f79c77116c6faf441d63f62bb3d22c5520163995b28e505d2168424a587bac',  # XCrySDen-1.6.2-no-bwidget-tcl-download.patch
+]
+
+dependencies = [
+    ('Togl', '2.0'),
+    ('Mesa', '24.1.3'),
+    ('libGLU', '9.0.3'),
+    ('bwidget', '1.10.1'),
+]
+
+# gcc fix by Jakob Schiotz, commit 7433b19bd05d1d511ee135a92b3ba845c89814d7
+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'