From e8edf1a12c6e656f613d1e758124b0c8947da6f0 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Tue, 19 May 2020 09:52:32 +0200 Subject: [PATCH] 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 --- ...oss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb | 2 +- ...016a-hybrid-single-CUDA-7.5-PLUMED-2.3b.eb | 2 +- ...15b-hybrid-single-CUDA-7.5-PLUMED-2.2.1.eb | 2 +- ...CS-5.1.2-intel-2015b-hybrid-single-cuda.eb | 2 +- ...CS-5.1.2-intel-2016a-hybrid-single-cuda.eb | 2 +- archive/p/PLUMED/PLUMED-2.3.0-foss-2016a.eb | 2 +- e/EasyBuild/EasyBuild-4.1.0.eb | 2 +- ...S-5.1.4-foss-2017a-hybrid-single-PLUMED.eb | 4 ++-- l/libmatheval/libmatheval-1.1.8-foss-2017a.eb | 2 +- o/OVITO/OVITO-3.0.0.628.eb | 22 +++++++++++++++++++ ...VITO-3.0.0.eb => OVITO-3.0.0.794-basic.eb} | 5 +---- ....0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb | 2 +- o/OpenMPI/OpenMPI-2.0.1.eb | 2 +- p/PSBLAS/PSBLAS-ext-1.0-4.eb | 2 +- p/Py/Py-2.7.old.eb | 2 +- p/pscom/pscom-5.0.48-1.eb | 2 +- s/spGPU/spGPU-master.eb | 2 +- 17 files changed, 39 insertions(+), 20 deletions(-) create mode 100644 o/OVITO/OVITO-3.0.0.628.eb rename o/OVITO/{OVITO-3.0.0.eb => OVITO-3.0.0.794-basic.eb} (69%) diff --git a/archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb b/archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb index 8e188e53..fbcc7528 100644 --- a/archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb +++ b/archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb @@ -28,7 +28,7 @@ dependencies = [ ('almost', '2.1.0'), ('libmatheval', '1.1.8'), ('PLUMED', '2.3b'), - ('CUDA', '7.5.18', '', ('dummy', '')), + ('CUDA', '7.5.18', '', True), ] sanity_check_paths = { diff --git a/archive/g/GROMACS/GROMACS-5.1.2-foss-2016a-hybrid-single-CUDA-7.5-PLUMED-2.3b.eb b/archive/g/GROMACS/GROMACS-5.1.2-foss-2016a-hybrid-single-CUDA-7.5-PLUMED-2.3b.eb index 84262eac..47aecd6a 100644 --- a/archive/g/GROMACS/GROMACS-5.1.2-foss-2016a-hybrid-single-CUDA-7.5-PLUMED-2.3b.eb +++ b/archive/g/GROMACS/GROMACS-5.1.2-foss-2016a-hybrid-single-CUDA-7.5-PLUMED-2.3b.eb @@ -36,7 +36,7 @@ builddependencies = [ dependencies = [ ('Boost', '1.61.0', '-serial'), - ('CUDA', '7.5.18', '', ('dummy', '')), + ('CUDA', '7.5.18', '', True), ('PLUMED', '2.3b') ] diff --git a/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-CUDA-7.5-PLUMED-2.2.1.eb b/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-CUDA-7.5-PLUMED-2.2.1.eb index 81f7c0b0..203d08a0 100644 --- a/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-CUDA-7.5-PLUMED-2.2.1.eb +++ b/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-CUDA-7.5-PLUMED-2.2.1.eb @@ -36,7 +36,7 @@ builddependencies = [ dependencies = [ ('Boost', '1.59.0'), - ('CUDA', '7.5.18', '', ('dummy', '')), + ('CUDA', '7.5.18', '', True), ('PLUMED', '2.2.1') ] diff --git a/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-cuda.eb b/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-cuda.eb index 025ebe18..befb4330 100644 --- a/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-cuda.eb +++ b/archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-cuda.eb @@ -36,7 +36,7 @@ builddependencies = [ dependencies = [ ('Boost', '1.59.0'), - ('CUDA', '7.5.18', '', ('dummy', '')) + ('CUDA', '7.5.18', '', True) ] configopts = ' -DGMX_GPU=ON -DGMX_DOUBLE=OFF' diff --git a/archive/g/GROMACS/GROMACS-5.1.2-intel-2016a-hybrid-single-cuda.eb b/archive/g/GROMACS/GROMACS-5.1.2-intel-2016a-hybrid-single-cuda.eb index 36f7c8d6..d9dc8896 100644 --- a/archive/g/GROMACS/GROMACS-5.1.2-intel-2016a-hybrid-single-cuda.eb +++ b/archive/g/GROMACS/GROMACS-5.1.2-intel-2016a-hybrid-single-cuda.eb @@ -36,7 +36,7 @@ builddependencies = [ dependencies = [ ('Boost', '1.60.0'), - ('CUDA', '7.5.18', '', ('dummy', '')) + ('CUDA', '7.5.18', '', True) ] configopts = ' -DGMX_GPU=ON -DGMX_DOUBLE=OFF' diff --git a/archive/p/PLUMED/PLUMED-2.3.0-foss-2016a.eb b/archive/p/PLUMED/PLUMED-2.3.0-foss-2016a.eb index 146aa35f..6a03944b 100644 --- a/archive/p/PLUMED/PLUMED-2.3.0-foss-2016a.eb +++ b/archive/p/PLUMED/PLUMED-2.3.0-foss-2016a.eb @@ -22,7 +22,7 @@ sources = ['v%(version)s.tar.gz'] dependencies = [ ('zlib', '1.2.8'), ('GSL', '2.1'), - ('libmatheval', '1.1.8', '', ('dummy', '')), + ('libmatheval', '1.1.8', '', True), ] preconfigopts = 'env FC=$MPIF90 LIBS="$LIBLAPACK $LIBS" ' diff --git a/e/EasyBuild/EasyBuild-4.1.0.eb b/e/EasyBuild/EasyBuild-4.1.0.eb index 65b2ca29..25051461 100644 --- a/e/EasyBuild/EasyBuild-4.1.0.eb +++ b/e/EasyBuild/EasyBuild-4.1.0.eb @@ -8,7 +8,7 @@ description = """EasyBuild is a software build and installation framework written in Python that allows you to install software in a structured, repeatable and robust way.""" -toolchain = {'name': 'dummy', 'version': 'dummy'} +toolchain = SYSTEM source_urls = [ # easybuild-framework diff --git a/g/GROMACS/GROMACS-5.1.4-foss-2017a-hybrid-single-PLUMED.eb b/g/GROMACS/GROMACS-5.1.4-foss-2017a-hybrid-single-PLUMED.eb index 0a19d608..61f4a62c 100644 --- a/g/GROMACS/GROMACS-5.1.4-foss-2017a-hybrid-single-PLUMED.eb +++ b/g/GROMACS/GROMACS-5.1.4-foss-2017a-hybrid-single-PLUMED.eb @@ -15,8 +15,8 @@ sources = [SOURCELOWER_TAR_GZ] #patches = ['gromacs-%s-plumed-2.3.0-mpi.patch' % version] builddependencies = [ - ('CMake', '3.7.2', '', ('dummy', '')), # We are using system CMake - ('libxml2', '2.9.2', '', ('dummy', '')), + ('CMake', '3.7.2', '', True), # We are using system CMake + ('libxml2', '2.9.2', '', True), ] preconfigopts = 'plumed patch -p -e gromacs-5.1.4 --shared &&' diff --git a/l/libmatheval/libmatheval-1.1.8-foss-2017a.eb b/l/libmatheval/libmatheval-1.1.8-foss-2017a.eb index 4749bed9..069d5e7f 100644 --- a/l/libmatheval/libmatheval-1.1.8-foss-2017a.eb +++ b/l/libmatheval/libmatheval-1.1.8-foss-2017a.eb @@ -16,7 +16,7 @@ toolchainopts = {'pic': True} dependencies = [ ('flex', '2.6.3', '', ('GCCcore', '6.3.0')), ('Bison', '3.0.4', '', ('GCCcore', '6.3.0')), - ('byacc', '20160606', '', ('dummy', '')), + ('byacc', '20160606', '', True), ('Guile', '1.8.8'), ] diff --git a/o/OVITO/OVITO-3.0.0.628.eb b/o/OVITO/OVITO-3.0.0.628.eb new file mode 100644 index 00000000..861f0bf8 --- /dev/null +++ b/o/OVITO/OVITO-3.0.0.628.eb @@ -0,0 +1,22 @@ +# JH 2020 + +easyblock = 'Tarball' + +name = 'OVITO' +version = '3.0.0' +versionsuffix='.628' + +homepage = 'https://www.ovito.org/' +description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data.""" + +toolchain = SYSTEM + +# download from https://www.ovito.org/linux-downloads/: +sources = ['ovito-3.0.0-dev628-x86_64.tar.xz'] + +sanity_check_paths = { + 'files': ['bin/ovito'], + 'dirs': [], +} + +moduleclass = 'vis' diff --git a/o/OVITO/OVITO-3.0.0.eb b/o/OVITO/OVITO-3.0.0.794-basic.eb similarity index 69% rename from o/OVITO/OVITO-3.0.0.eb rename to o/OVITO/OVITO-3.0.0.794-basic.eb index fe1e5df1..5e03c32b 100644 --- a/o/OVITO/OVITO-3.0.0.eb +++ b/o/OVITO/OVITO-3.0.0.794-basic.eb @@ -4,6 +4,7 @@ easyblock = 'Tarball' name = 'OVITO' version = '3.0.0' +versionsuffix = '.794-basic' homepage = 'https://www.ovito.org/' description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data.""" @@ -13,10 +14,6 @@ toolchain = SYSTEM # download from https://www.ovito.org/linux-downloads/: sources = ['ovito-basic-3.0.0-dev794-x86_64.tar.xz'] -#postinstallcmds = [ -# "cp -a %(builddir)s/Kent_tools/blat/{blat,gfClient,gfServer} %(installdir)s/bin", -# "cp -a %(builddir)s/Kent_tools/blat/FOOTER.txt %(installdir)s/bin/FOOTER_blat.txt", -#] sanity_check_paths = { 'files': ['bin/ovito'], diff --git a/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb b/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb index f7becb8b..8d56e141 100644 --- a/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb +++ b/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb @@ -16,7 +16,7 @@ source_urls = [ dependencies = [ ('hwloc', '1.11.4'), - ('Java', '1.8.0_112', '', ('dummy', '')) + ('Java', '1.8.0_112', '', True) ] configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs ' diff --git a/o/OpenMPI/OpenMPI-2.0.1.eb b/o/OpenMPI/OpenMPI-2.0.1.eb index 3c88383a..e7e7ef94 100644 --- a/o/OpenMPI/OpenMPI-2.0.1.eb +++ b/o/OpenMPI/OpenMPI-2.0.1.eb @@ -16,7 +16,7 @@ source_urls = [ dependencies = [ ('hwloc', '1.11.4'), - ('Java', '1.8.0_112', '', ('dummy', '')) + ('Java', '1.8.0_112', '', True) ] configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs ' diff --git a/p/PSBLAS/PSBLAS-ext-1.0-4.eb b/p/PSBLAS/PSBLAS-ext-1.0-4.eb index d213501e..68439034 100644 --- a/p/PSBLAS/PSBLAS-ext-1.0-4.eb +++ b/p/PSBLAS/PSBLAS-ext-1.0-4.eb @@ -11,7 +11,7 @@ toolchainopts = {'pic': True} dependencies = [ ('PSBLAS', '3.3.4-3'), - ('CUDA', '7.5.18', '', ('dummy', 'dummy')) + ('CUDA', '7.5.18', '', True) ] source_urls = ['http://people.uniroma2.it/salvatore.filippone/psblas/'] diff --git a/p/Py/Py-2.7.old.eb b/p/Py/Py-2.7.old.eb index ffcc138e..54038190 100644 --- a/p/Py/Py-2.7.old.eb +++ b/p/Py/Py-2.7.old.eb @@ -8,7 +8,7 @@ version = '2.7' homepage = 'https://www.python.org' description = """Python 2.7 toolchain""" -toolchain = {'name': 'dummy', 'version': 'dummy'} +toolchain = SYSTEM dependencies = [ ('Python', '2.7.14', '-base', ('GCC', '6.3.0-2.27')), diff --git a/p/pscom/pscom-5.0.48-1.eb b/p/pscom/pscom-5.0.48-1.eb index 69bd7b7e..386e6e21 100644 --- a/p/pscom/pscom-5.0.48-1.eb +++ b/p/pscom/pscom-5.0.48-1.eb @@ -6,7 +6,7 @@ version = '5.0.48-1' homepage = 'http://www.par-tec.com' description = "ParaStation is a robust and efficient cluster middleware, consisting of a high-performance communication layer (MPI) and a sophisticated management layer." -toolchain = {'version': '', 'name': 'dummy'} +toolchain = SYSTEM sources = ['%(version)s.zip'] source_urls = ['https://github.com/ParaStation/%(name)s/archive/'] diff --git a/s/spGPU/spGPU-master.eb b/s/spGPU/spGPU-master.eb index 48d12e81..51610117 100644 --- a/s/spGPU/spGPU-master.eb +++ b/s/spGPU/spGPU-master.eb @@ -16,7 +16,7 @@ sources = ['%(version)s.tar.gz'] builddependencies = [('CMake', '3.3.1')] -dependencies = [('CUDA', '7.5.18', '', ('dummy', 'dummy'))] +dependencies = [('CUDA', '7.5.18', '', True)] patches = ['spGPU-master.patch']