progress on #166 FragPipe

166_FragPipe/OpenMS-3.1.0-foss-2022a.eb

@@ -0,0 +1,68 @@
+easyblock = 'CMakeMake'
+
+name = 'OpenMS'
+version = '3.1.0'
+
+homepage = 'https://www.openms.de/'
+description = """As part of the deNBI Center for integrative Bioinformatics, OpenMS offers an open-source software
+ C++ library (+ python bindings) for LC/MS data management and analyses. It provides an infrastructure
+ for the rapid development of mass spectrometry related software as well as a rich toolset built on top of it."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+source_urls = [
+    'https://github.com/OpenMS/OpenMS/releases/download/Release%(version)s/',
+    'https://github.com/seqan/seqan/releases/download/seqan-v2.4.0/',
+]
+sources = [
+    '%(name)s-%(version)s-src.tar.gz',
+    'seqan-library-2.4.0.tar.xz',
+]
+checksums = [
+    '0fd13edeaf5eaca014c13560bbcce0ec2abe9de6bb323289b38a3b3943b3d98b',  # OpenMS-3.1.0-src.tar.gz
+    'dd97b1514ab83acb7d7be911b157979e188e8ca72cc61c430c1e0fd03bcd41a5',  # seqan-library-2.4.0.tar.xz
+]
+
+builddependencies = [
+    ('CMake', '3.23.1'),
+    ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+    ('Boost', '1.79.0'),
+    ('Xerces-C++', '3.2.4'),
+    ('LIBSVM', '3.30'),
+    ('GLPK', '5.0'),
+    ('Eigen', '3.4.0'),
+    ('SQLite', '3.38.3'),
+    ('bzip2', '1.0.8'),
+    ('zlib', '1.2.12'),
+    ('libtool', '2.4.7'),
+    ('Qt5', '5.15.5'),
+    ('CoinUtils', '2.11.3'),  # TODO update
+    ('Osi', '0.108.5'),  # TODO update
+    ('Clp', '1.17.3'),  # TODO update
+    ('Cgl', '0.60.2'),  # TODO update
+    ('Cbc', '2.10.3'),  # TODO update
+    ('WildMagic', '5.17'),  # TODO update
+    ('X11', '20220504'),
+]
+
+configopts = "-DCMAKE_PREFIX_PATH=%(builddir)s/seqan-library-1.4.2 -DCMAKE_CXX_STANDARD_LIBRARIES='-ldl' "
+# Disable reporting to remote servers
+configopts += "-DENABLE_UPDATE_CHECK=OFF "
+# Documentation requires an active X server display and tutorials require LaTex
+configopts += "-DENABLE_DOCS=OFF -DENABLE_TUTORIALS=OFF "
+
+# TODO enable Python
+
+sanity_check_paths = {
+    'files': ['lib/libOpenMS.%s' % SHLIB_EXT, 'lib/libOpenMS_GUI.%s' % SHLIB_EXT],
+    'dirs': ['bin', 'include/OpenMS', 'lib', 'share/OpenMS'],
+}
+sanity_check_commands = ['OpenMSInfo']
+
+# Disable notifications on new updates
+modextravars = {'OPENMS_DISABLE_UPDATE_CHECK': 1}
+
+moduleclass = "bio"