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https://code.it4i.cz/sccs/easyconfigs-it4i.git
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modified: archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb
modified: archive/g/GROMACS/GROMACS-5.1.2-foss-2016a-hybrid-single-CUDA-7.5-PLUMED-2.3b.eb modified: archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-CUDA-7.5-PLUMED-2.2.1.eb modified: archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-cuda.eb modified: archive/g/GROMACS/GROMACS-5.1.2-intel-2016a-hybrid-single-cuda.eb modified: archive/p/PLUMED/PLUMED-2.3.0-foss-2016a.eb modified: e/EasyBuild/EasyBuild-4.1.0.eb modified: g/GROMACS/GROMACS-5.1.4-foss-2017a-hybrid-single-PLUMED.eb modified: l/libmatheval/libmatheval-1.1.8-foss-2017a.eb new file: o/OVITO/OVITO-3.0.0.628.eb new file: o/OVITO/OVITO-3.0.0.794-basic.eb modified: o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb modified: o/OpenMPI/OpenMPI-2.0.1.eb modified: p/PSBLAS/PSBLAS-ext-1.0-4.eb modified: p/Py/Py-2.7.old.eb modified: p/pscom/pscom-5.0.48-1.eb modified: s/spGPU/spGPU-master.eb deleted: o/OVITO/OVITO-3.0.0.eb
This commit is contained in:
Lukáš Krupčík
parent
0de0731e5b
commit
e8edf1a12c
@ -28,7 +28,7 @@ dependencies = [
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('almost', '2.1.0'),
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('libmatheval', '1.1.8'),
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('PLUMED', '2.3b'),
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('CUDA', '7.5.18', '', ('dummy', '')),
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('CUDA', '7.5.18', '', True),
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]
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sanity_check_paths = {
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@ -36,7 +36,7 @@ builddependencies = [
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dependencies = [
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('Boost', '1.61.0', '-serial'),
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('CUDA', '7.5.18', '', ('dummy', '')),
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('CUDA', '7.5.18', '', True),
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('PLUMED', '2.3b')
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]
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@ -36,7 +36,7 @@ builddependencies = [
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dependencies = [
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('Boost', '1.59.0'),
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('CUDA', '7.5.18', '', ('dummy', '')),
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('CUDA', '7.5.18', '', True),
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('PLUMED', '2.2.1')
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]
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@ -36,7 +36,7 @@ builddependencies = [
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dependencies = [
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('Boost', '1.59.0'),
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('CUDA', '7.5.18', '', ('dummy', ''))
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('CUDA', '7.5.18', '', True)
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]
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configopts = ' -DGMX_GPU=ON -DGMX_DOUBLE=OFF'
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@ -36,7 +36,7 @@ builddependencies = [
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dependencies = [
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('Boost', '1.60.0'),
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('CUDA', '7.5.18', '', ('dummy', ''))
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('CUDA', '7.5.18', '', True)
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]
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configopts = ' -DGMX_GPU=ON -DGMX_DOUBLE=OFF'
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@ -22,7 +22,7 @@ sources = ['v%(version)s.tar.gz']
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dependencies = [
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('zlib', '1.2.8'),
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('GSL', '2.1'),
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('libmatheval', '1.1.8', '', ('dummy', '')),
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('libmatheval', '1.1.8', '', True),
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]
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preconfigopts = 'env FC=$MPIF90 LIBS="$LIBLAPACK $LIBS" '
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@ -8,7 +8,7 @@ description = """EasyBuild is a software build and installation framework
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written in Python that allows you to install software in a structured,
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repeatable and robust way."""
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toolchain = {'name': 'dummy', 'version': 'dummy'}
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toolchain = SYSTEM
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source_urls = [
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# easybuild-framework
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@ -15,8 +15,8 @@ sources = [SOURCELOWER_TAR_GZ]
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#patches = ['gromacs-%s-plumed-2.3.0-mpi.patch' % version]
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builddependencies = [
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('CMake', '3.7.2', '', ('dummy', '')), # We are using system CMake
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('libxml2', '2.9.2', '', ('dummy', '')),
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('CMake', '3.7.2', '', True), # We are using system CMake
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('libxml2', '2.9.2', '', True),
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]
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preconfigopts = 'plumed patch -p -e gromacs-5.1.4 --shared &&'
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@ -16,7 +16,7 @@ toolchainopts = {'pic': True}
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dependencies = [
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('flex', '2.6.3', '', ('GCCcore', '6.3.0')),
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('Bison', '3.0.4', '', ('GCCcore', '6.3.0')),
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('byacc', '20160606', '', ('dummy', '')),
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('byacc', '20160606', '', True),
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('Guile', '1.8.8'),
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]
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22
o/OVITO/OVITO-3.0.0.628.eb
Normal file
22
o/OVITO/OVITO-3.0.0.628.eb
Normal file
@ -0,0 +1,22 @@
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# JH 2020
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easyblock = 'Tarball'
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name = 'OVITO'
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version = '3.0.0'
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versionsuffix='.628'
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homepage = 'https://www.ovito.org/'
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description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data."""
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toolchain = SYSTEM
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# download from https://www.ovito.org/linux-downloads/:
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sources = ['ovito-3.0.0-dev628-x86_64.tar.xz']
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sanity_check_paths = {
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'files': ['bin/ovito'],
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'dirs': [],
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}
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moduleclass = 'vis'
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@ -4,6 +4,7 @@ easyblock = 'Tarball'
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name = 'OVITO'
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version = '3.0.0'
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versionsuffix = '.794-basic'
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homepage = 'https://www.ovito.org/'
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description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data."""
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@ -13,10 +14,6 @@ toolchain = SYSTEM
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# download from https://www.ovito.org/linux-downloads/:
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sources = ['ovito-basic-3.0.0-dev794-x86_64.tar.xz']
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#postinstallcmds = [
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# "cp -a %(builddir)s/Kent_tools/blat/{blat,gfClient,gfServer} %(installdir)s/bin",
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# "cp -a %(builddir)s/Kent_tools/blat/FOOTER.txt %(installdir)s/bin/FOOTER_blat.txt",
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#]
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sanity_check_paths = {
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'files': ['bin/ovito'],
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@ -16,7 +16,7 @@ source_urls = [
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dependencies = [
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('hwloc', '1.11.4'),
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('Java', '1.8.0_112', '', ('dummy', ''))
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('Java', '1.8.0_112', '', True)
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]
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configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs '
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@ -16,7 +16,7 @@ source_urls = [
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dependencies = [
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('hwloc', '1.11.4'),
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('Java', '1.8.0_112', '', ('dummy', ''))
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('Java', '1.8.0_112', '', True)
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]
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configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs '
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@ -11,7 +11,7 @@ toolchainopts = {'pic': True}
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dependencies = [
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('PSBLAS', '3.3.4-3'),
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('CUDA', '7.5.18', '', ('dummy', 'dummy'))
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('CUDA', '7.5.18', '', True)
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]
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source_urls = ['http://people.uniroma2.it/salvatore.filippone/psblas/']
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@ -8,7 +8,7 @@ version = '2.7'
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homepage = 'https://www.python.org'
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description = """Python 2.7 toolchain"""
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toolchain = {'name': 'dummy', 'version': 'dummy'}
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toolchain = SYSTEM
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dependencies = [
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('Python', '2.7.14', '-base', ('GCC', '6.3.0-2.27')),
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@ -6,7 +6,7 @@ version = '5.0.48-1'
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homepage = 'http://www.par-tec.com'
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description = "ParaStation is a robust and efficient cluster middleware, consisting of a high-performance communication layer (MPI) and a sophisticated management layer."
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toolchain = {'version': '', 'name': 'dummy'}
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toolchain = SYSTEM
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sources = ['%(version)s.zip']
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source_urls = ['https://github.com/ParaStation/%(name)s/archive/']
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@ -16,7 +16,7 @@ sources = ['%(version)s.tar.gz']
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builddependencies = [('CMake', '3.3.1')]
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dependencies = [('CUDA', '7.5.18', '', ('dummy', 'dummy'))]
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dependencies = [('CUDA', '7.5.18', '', True)]
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patches = ['spGPU-master.patch']
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