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afe7bf8bae
new file: a/ANN/ANN-1.1.2-GCC-12.2.0.eb new file: c/Cgicc/Cgicc-3.2.19-GCC-12.2.0.eb new file: c/CoordgenLibs/CoordgenLibs-3.0.1-gompi-2022b.eb new file: c/c-blosc/c-blosc-1.21.0-GCC-10.2.0.eb new file: f/FastCGI/FastCGI-2.4.2-GCC-12.2.0.eb new file: g/GDB/GDB-12.1-GCCcore-11.3.0.eb new file: g/GDB/GDB-13.2-GCCcore-12.2.0.eb new file: g/GMP/GMP-6.2.1.eb new file: g/gompi/gompi-2020d.eb new file: g/gperftools/gperftools-2.10-GCCcore-12.2.0.eb new file: h/HDF5/HDF5-1.12.0-gompi-2020d.eb modified: h/hwloc/hwloc-1.11.7-GCC-10.2.0.eb new file: i/ISL/ISL-0.24-GCCcore-12.2.0.eb new file: i/ISL/ISL-0.24.eb new file: j/JsonCpp/JsonCpp-1.9.5-GCCcore-12.2.0.eb new file: k/kim-api/kim-api-2.3.0-GCCcore-11.2.0.eb modified: l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos.eb new file: l/LEMON/LEMON-1.3.1-GCC-12.2.0.eb new file: m/MPC/MPC-1.2.1-GCCcore-12.2.0.eb new file: m/MPC/MPC-1.2.1.eb new file: m/MPFR/MPFR-4.1.0-GCCcore-12.2.0.eb new file: m/maeparser/maeparser-1.3.0-gompi-2022b.eb new file: m/makeinfo/makeinfo-6.8-GCCcore-12.2.0.eb new file: o/OpenBabel/OpenBabel-3.1.1-gompi-2022b.eb new file: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0-CUDA-12.2.0.eb modified: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0.eb new file: o/openPMD-api/openPMD-api-0.14.4-gompi-2020d.eb new file: p/PNGwriter/PNGwriter-0.7.0-GCC-10.2.0.eb new file: s/SWIG/SWIG-4.0.2-GCCcore-12.2.0.eb
36 lines
930 B
Plaintext
36 lines
930 B
Plaintext
# IT4Innovations
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# LK 2023
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easyblock = 'CMakeMake'
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name = 'CoordgenLibs'
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version = '3.0.1'
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homepage = 'https://github.com/schrodinger/coordgenlibs'
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description = "Schrodinger-developed 2D Coordinate Generation"
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toolchain = {'name': 'gompi', 'version': '2022b'}
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source_urls = ['https://github.com/schrodinger/coordgenlibs/archive/']
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sources = ['v%(version)s.tar.gz']
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checksums = ['737fd081bcb8a6913aa00b375be96458fe2821a58209c98e7a7e86a64d73a900']
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builddependencies = [('CMake', '3.24.3')]
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dependencies = [
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('Boost', '1.81.0'),
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('maeparser', '1.3.0'),
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]
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configopts = "-Dmaeparser_DIR=$EBROOTMAEPARSER/lib/cmake"
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# work around compiler warning treated as error by stripping out use of -Werror
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prebuildopts = "sed -i 's/-Werror//g' CMakeFiles/coordgen.dir/flags.make && "
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sanity_check_paths = {
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'files': ['lib/libcoordgen.%s' % SHLIB_EXT],
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'dirs': ['include/coordgen', 'lib/cmake'],
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}
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moduleclass = 'chem'
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