mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 15:32:11 +01:00
modified: d/DOLFIN/DOLFIN-2019.1.0-intel-2020a-Py-3.7.eb
new file: f/FFC/FFC-2018.1.0-conda.eb modified: f/FFC/FFC-2019.1.0-conda.eb modified: o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27.eb new file: p/PLY/PLY-3.11-intel-2020a-Py-3.7.eb modified: p/petsc4py/petsc4py-3.12.0-Py-3.7.eb modified: r/RELION/RELION-3.1.0-intel-2020a.eb new file: r/RELION/fltk-ftp.patch deleted: r/RELION/RELION-3.1.0-gompi-2019b.eb
This commit is contained in:
Lukáš Krupčík
parent
f3aee04ebe
commit
e3c5bfa27d
@ -1,6 +1,8 @@
|
||||
# IT4Innovations 2020
|
||||
# LK
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'DOLFIN'
|
||||
version = '2019.1.0'
|
||||
versionsuffix = '-Py-3.7'
|
||||
@ -17,9 +19,9 @@ sources = [SOURCELOWER_TAR_GZ]
|
||||
|
||||
builddependencies = [
|
||||
('CMake', '3.16.2', '', True),
|
||||
('pkg-config', '0.29.2', '', True),
|
||||
('PatchELF', '0.9', '', True),
|
||||
# ('pybind11', '2.2.4', versionsuffix),
|
||||
# ('pkg-config', '0.29.2', '', True),
|
||||
# ('PatchELF', '0.9', '', True),
|
||||
# ('pybind11', '2.4.3', versionsuffix, True),
|
||||
]
|
||||
dependencies = [
|
||||
('Py', '3.7', '', True),
|
||||
@ -27,25 +29,25 @@ dependencies = [
|
||||
('FFC', '2019.1.0', versionsuffix),
|
||||
('FIAT', '2019.1.0', versionsuffix),
|
||||
('UFL', '2019.1.0', versionsuffix),
|
||||
('SCOTCH', '6.0.9'),
|
||||
('SuiteSparse', '5.6.0', '-METIS-5.1.0'),
|
||||
('CGAL', '4.11.1'),
|
||||
('PETSc', '3.12.4'),
|
||||
('SLEPc', '3.12.2'),
|
||||
('HDF5', '1.10.6'),
|
||||
# ('SCOTCH', '6.0.9'),
|
||||
# ('SuiteSparse', '5.6.0', '-METIS-5.1.0'),
|
||||
# ('CGAL', '4.11.1'),
|
||||
# ('PETSc', '3.12.4'),
|
||||
# ('SLEPc', '3.12.2'),
|
||||
# ('HDF5', '1.10.6'),
|
||||
# ('Trilinos', '12.12.1', versionsuffix),
|
||||
('zlib', '1.2.11', '', True),
|
||||
('libxml2', '2.9.9', '', True),
|
||||
('Eigen', '3.3.7', '', True),
|
||||
# ('PLY', '3.11', versionsuffix),
|
||||
# ('VTK', '8.1.0', versionsuffix),
|
||||
# ('petsc4py', '3.9.1', versionsuffix),
|
||||
# ('slepc4py', '3.9.0', versionsuffix),
|
||||
# ('petsc4py', '3.12.0', versionsuffix, True),
|
||||
# ('slepc4py', '3.12.0', versionsuffix, True),
|
||||
# ('SUNDIALS', '2.7.0'),
|
||||
('ParMETIS', '4.0.3'),
|
||||
# ('ParMETIS', '4.0.3'),
|
||||
]
|
||||
|
||||
# demos run as tests fail with 'bad X server connection', skipping for now
|
||||
runtest = False
|
||||
#runtest = False
|
||||
|
||||
moduleclass = 'math'
|
||||
|
||||
27
f/FFC/FFC-2018.1.0-conda.eb
Normal file
27
f/FFC/FFC-2018.1.0-conda.eb
Normal file
@ -0,0 +1,27 @@
|
||||
# IT4Innovations 2020
|
||||
# LK
|
||||
|
||||
easyblock = "Conda"
|
||||
|
||||
name = 'FFC'
|
||||
version = '2018.1.0'
|
||||
versionsuffix = '-conda'
|
||||
|
||||
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
|
||||
description = """This software calculates phonon-phonon interaction related properties"""
|
||||
|
||||
toolchain = SYSTEM
|
||||
|
||||
dependencies = [
|
||||
('Anaconda3', '2019.10'),
|
||||
]
|
||||
|
||||
requirements = "fenics=%(version)s mshr=%(version)s python=3.7"
|
||||
channels = ['conda-forge']
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/ffc'],
|
||||
'dirs': ['bin', 'lib', 'lib64', 'include', 'sbin']
|
||||
}
|
||||
|
||||
moduleclass = 'math'
|
||||
@ -15,7 +15,7 @@ dependencies = [
|
||||
('Anaconda3', '2019.10'),
|
||||
]
|
||||
|
||||
requirements = "fenics=%(version)s python=3.7"
|
||||
requirements = "fenics=%(version)s mshr=%(version)s slepc=3.12 python=3.8"
|
||||
channels = ['conda-forge']
|
||||
|
||||
sanity_check_paths = {
|
||||
|
||||
@ -25,7 +25,7 @@ configopts += '--disable-dlopen '
|
||||
configopts += '--with-tm=/opt/pbs ' # Enable PBS
|
||||
|
||||
# needed for --with-verbs
|
||||
osdependencies = [('libibverbs-dev', 'libibverbs-devel')]
|
||||
osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')]
|
||||
|
||||
libs = [
|
||||
"mpi_cxx",
|
||||
|
||||
28
p/PLY/PLY-3.11-intel-2020a-Py-3.7.eb
Normal file
28
p/PLY/PLY-3.11-intel-2020a-Py-3.7.eb
Normal file
@ -0,0 +1,28 @@
|
||||
# IT4Innovations 2020
|
||||
# LK
|
||||
|
||||
easyblock = 'PythonPackage'
|
||||
|
||||
name = 'PLY'
|
||||
version = '3.11'
|
||||
versionsuffix = "-Py-3.7"
|
||||
|
||||
homepage = "http://www.dabeaz.com/ply/"
|
||||
description = """PLY is yet another implementation of lex and yacc for Python."""
|
||||
|
||||
toolchain = {'name': 'intel', 'version': '2020a'}
|
||||
|
||||
source_urls = [PYPI_LOWER_SOURCE]
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['00c7c1aaa88358b9c765b6d3000c6eec0ba42abca5351b095321aef446081da3']
|
||||
|
||||
dependencies = [('Py', '3.7', '', True)]
|
||||
|
||||
download_dep_fail = True
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': [],
|
||||
'dirs': ['lib/python3.7/site-packages'],
|
||||
}
|
||||
|
||||
moduleclass = 'lib'
|
||||
@ -1,4 +1,5 @@
|
||||
# IT4Innovations 2020
|
||||
# LK
|
||||
|
||||
easyblock = "PythonPackage"
|
||||
|
||||
|
||||
@ -1,33 +0,0 @@
|
||||
# IT4Innovations 2020\
|
||||
# LK
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'RELION'
|
||||
version = '3.1.0'
|
||||
|
||||
homepage = 'http://www2.mrc-lmb.cam.ac.uk/relion/index.php/Main_Page'
|
||||
description = """RELION (for REgularised LIkelihood OptimisatioN, pronounce rely-on) is a stand-alone local_computer
|
||||
program that employs an empirical Bayesian approach to refinement of (multiple) 3D reconstructions or 2D class
|
||||
averages in electron cryo-microscopy (cryo-EM)."""
|
||||
|
||||
toolchain = {'name': 'gompi', 'version': '2019b'}
|
||||
toolchainopts = {'opt': True}
|
||||
|
||||
source_urls = ['https://github.com/3dem/relion/archive/']
|
||||
sources = ['%(version)s.tar.gz']
|
||||
|
||||
builddependencies = [
|
||||
('CMake', '3.16.2', '', True),
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
('X11', '20190717', '', True),
|
||||
('libpng', '1.6.37', '', True),
|
||||
('FFTW', '3.3.8'),
|
||||
('FLTK', '1.3.5', '', True),
|
||||
]
|
||||
|
||||
separate_build_dir = True
|
||||
|
||||
moduleclass = 'bio'
|
||||
@ -15,24 +15,17 @@ toolchain = {'name': 'intel', 'version': '2020a'}
|
||||
|
||||
source_urls = ['https://github.com/3dem/relion/archive/']
|
||||
sources = ['%(version)s.tar.gz']
|
||||
patches = ['fltk-ftp.patch']
|
||||
|
||||
builddependencies = [('CMake', '3.16.2')]
|
||||
|
||||
dependencies = [
|
||||
('X11', '20190717', '', ('GCCcore', '8.3.0')),
|
||||
('FLTK', '1.3.5', '', True),
|
||||
('LibTIFF', '4.1.0', '', ('GCCcore', '8.3.0')),
|
||||
# ('tbb', '2019_U9', '', ('GCCcore', '8.3.0')),
|
||||
('FFTW', '3.3.8'),
|
||||
('GTK+', '3.24.13', '', ('GCCcore', '8.3.0')),
|
||||
('libXrender', '0.9.9', '', True),
|
||||
builddependencies = [
|
||||
('CMake', '3.16.2'),
|
||||
]
|
||||
|
||||
#configopts = "-DCMAKE_SHARED_LINKER_FLAGS='-lpthread' -DMPI_INCLUDE_PATH=$EBROOTIMPI/include64 "
|
||||
#configopts += "-DMPI_C_COMPILER=$EBROOTIMPI/bin64/mpiicc -DMPI_CXX_COMPILER=$EBROOTIMPI/bin64/mpiicpc "
|
||||
#configopts += "-DCUDA=OFF -DCudaTexture=OFF "
|
||||
#configopts += "-DALTCPU=ON -DMKLFFT=ON "
|
||||
#configopts += "-DALTCPU=ON -DMKLFFT=ON -DFORCE_OWN_TBB=OFF "
|
||||
dependencies = [
|
||||
('LibTIFF', '4.1.0', '', ('GCCcore', '8.3.0')),
|
||||
]
|
||||
|
||||
configopts = "-DMKLFFT=ON -DFORCE_OWN_FLTK=ON "
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/relion'],
|
||||
|
||||
11
r/RELION/fltk-ftp.patch
Normal file
11
r/RELION/fltk-ftp.patch
Normal file
@ -0,0 +1,11 @@
|
||||
--- cmake/BuildFLTK.cmake.orig 2020-07-22 12:23:50.040767719 +0200
|
||||
+++ cmake/BuildFLTK.cmake 2020-07-22 12:24:43.340803545 +0200
|
||||
@@ -36,7 +36,7 @@
|
||||
|
||||
message(STATUS "no previous fltk found, the following paths are set for libs/headers TO BE built")
|
||||
|
||||
- set(FLTK_TAR_FILE ftp://ftp.mrc-lmb.cam.ac.uk/pub/scheres/fltk-1.3.5-source.tar.gz) # FLTK 1.3.5
|
||||
+ set(FLTK_TAR_FILE https://www.fltk.org/pub/fltk/1.3.5/fltk-1.3.5-source.tar.gz) # FLTK 1.3.5
|
||||
set(FLTK_HASH e85017defd5a03ae82e634311db87bbf)
|
||||
set(FLTK_TAR_NAME fltk-1.3.5-source.tar.gz)
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user