adding easyconfigs: VMD-1.9.4a57-foss-2023a.eb, ACTC-1.1-GCCcore-12.3…

….0.eb
easybuilders · Jan 20, 2025 · f30c794 · f30c794
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diff --git a/easybuild/easyconfigs/a/ACTC/ACTC-1.1-GCCcore-12.3.0.eb b/easybuild/easyconfigs/a/ACTC/ACTC-1.1-GCCcore-12.3.0.eb
@@ -0,0 +1,35 @@
+easyblock = 'MakeCp'
+
+name = 'ACTC'
+version = '1.1'
+
+homepage = 'https://sourceforge.net/projects/actc'
+description = "ACTC converts independent triangles into triangle strips or fans."
+
+toolchain = {'name': 'GCCcore', 'version': '12.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [SOURCEFORGE_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['3a1303291629b9de6008c3c9d7b020a4b854802408fb3f8222ec492808c8b44d']
+
+builddependencies = [('binutils', '2.40')]
+
+buildopts = 'CC="$CC" CFLAGS="$CFLAGS"'
+
+files_to_copy = [
+    (['tcsample', 'tctest', 'tctest2'], 'bin'),
+    (['tc.h'], 'include/ac'),
+    (['libactc.a'], 'lib'),
+    'COPYRIGHT', 'manual.html', 'prims.gif', 'README',
+]
+
+sanity_check_paths = {
+    'files': ['bin/tctest', 'bin/tctest2', 'bin/tcsample', 'include/ac/tc.h', 'lib/libactc.a',
+              'COPYRIGHT', 'manual.html', 'prims.gif', 'README'],
+    'dirs': [],
+}
+
+modextrapaths = {'CPATH': 'include/ac'}
+
+moduleclass = 'lib'
diff --git a/easybuild/easyconfigs/v/VMD/VMD-1.9.4a57-foss-2023a.eb b/easybuild/easyconfigs/v/VMD/VMD-1.9.4a57-foss-2023a.eb
@@ -0,0 +1,57 @@
+name = 'VMD'
+version = '1.9.4a57'
+
+homepage = 'https://www.ks.uiuc.edu/Research/vmd'
+description = """VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular
+ systems using 3-D graphics and built-in scripting."""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+source_urls = [
+    'https://www.ks.uiuc.edu/Research/vmd/vmd-1.9.4/files/alpha/',
+    'https://www.ks.uiuc.edu/Research/vmd/vmd-%(version)s/files/final',
+    'http://webclu.bio.wzw.tum.de/stride/'  # bad SSL cert
+]
+sources = [
+    'vmd-%(version)s.src.tar.gz',
+    {'filename': 'stride.tar.gz', 'extract_cmd': "tar -C vmd-%(version)s/lib/stride -xf %s"},
+]
+patches = [
+    ('VMD-1.9.3_plugins.patch'),
+    ('VMD-1.9.3_surf_Makefile.patch', 'vmd-%(version)s'),
+    ('VMD-1.9.3_surf_bad_printfs.patch', 'vmd-%(version)s'),
+    ('VMD-1.9.3_stride_Makefile.patch', 'vmd-%(version)s'),
+    ('VMD-1.9.3_stride_MAX_AT_IN_RES.patch', 'vmd-%(version)s'),
+    ('VMD-%(version)s_configure.patch', 'vmd-%(version)s'),
+    ('VMD-1.9.4a51_extra_colors.patch', 'vmd-%(version)s'),
+]
+checksums = [
+    'de278d0c5d969336d89068e0806fb50aaa0cb0f546ba985d840b279357860679',  # vmd-1.9.4a57.src.tar.gz
+    '51a8bc2988bb184bd08216124f61725225bb1a6f563bdf8cd35154cb5d621c1a',  # stride.tar.gz
+    '85760d6ae838e2b09801e34b36b484532383f7aaf2e8634b3ef808002a92baa3',  # VMD-1.9.3_plugins.patch
+    'd5cfa88064b7cffbc75accd69707d4e45fda974e8127de9ab606fdad501bd68a',  # VMD-1.9.3_surf_Makefile.patch
+    'f3c2a8c155e38db8e644cee6a01f6beaea5988e72ac74cde26b71670b151cc34',  # VMD-1.9.3_surf_bad_printfs.patch
+    'eb194ac0d8c086b73f87b29f7d732687f902431b1cdfa139c090401fefdee51e',  # VMD-1.9.3_stride_Makefile.patch
+    'eff1ca00cec637a6c8a156b2fb038e078d1835ba0eb15a571ed820bca5a866d9',  # VMD-1.9.3_stride_MAX_AT_IN_RES.patch
+    '231b55bcc2e9e71a0934b2693b56170be4d922a9afe98f39b583617533ef1349',  # VMD-1.9.4a57_configure.patch
+    '253eba282b570eb00e4764f46f77fd5ca898d10360d5707dd50ad1f14615af80',  # VMD-1.9.4a51_extra_colors.patch
+]
+
+dependencies = [
+    ('Tcl', '8.6.13'),
+    ('Tk', '8.6.13'),
+    ('FLTK', '1.3.8'),
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('Tkinter', '%(pyver)s'),
+    ('Mesa', '23.1.4'),
+    ('netCDF', '4.9.2'),
+    ('FFmpeg', '6.0'),
+    ('ImageMagick', '7.1.1-15'),
+    ('ACTC', '1.1'),  # Needs New EC
+    ('zlib', '1.2.13'),
+    ('libpng', '1.6.39'),
+    ('POV-Ray', '3.7.0.10'),
+]
+
+moduleclass = 'vis'