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Merge pull request #11589 from easybuilders/4.3.x
release EasyBuild v4.3.1
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57 changes: 57 additions & 0 deletions
57
easybuild/easyconfigs/a/ABINIT/ABINIT-9.2.1-intel-2020a.eb
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| Original file line number | Diff line number | Diff line change |
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| easyblock = 'ConfigureMake' | ||
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| name = 'ABINIT' | ||
| version = '9.2.1' | ||
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| homepage = 'https://www.abinit.org/' | ||
| description = """ABINIT is a package whose main program allows one to find the total energy, | ||
| charge density and electronic structure of systems made of electrons and nuclei (molecules | ||
| and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a | ||
| planewave or wavelet basis.""" | ||
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| toolchain = {'name': 'intel', 'version': '2020a'} | ||
| toolchainopts = {'usempi': True, 'pic': True} | ||
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| source_urls = ['https://www.abinit.org/sites/default/files/packages/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['4aa2deaeec385ff1624669a59768e1a6655f6367f8f109e69944244e000142a0'] | ||
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| builddependencies = [ | ||
| ('Python', '3.8.2'), | ||
| ] | ||
| dependencies = [ | ||
| ('libxc', '4.3.4'), | ||
| ('netCDF-Fortran', '4.5.2'), | ||
| ] | ||
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| # Ensure MPI with intel wrappers. | ||
| configopts = '--with-mpi="yes" --enable-openmp="no" ' | ||
| configopts += ' FC="mpiifort" CC="mpiicc" CXX="mpiicpc" ' | ||
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| # BLAS/Lapack from MKL | ||
| configopts += '--with-linalg-flavor=mkl ' | ||
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| # FFTW from MKL | ||
| configopts += '--with-fft-flavor=dfti ' | ||
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| # libxc support | ||
| configopts += '--with-libxc=${EBROOTLIBXC} ' | ||
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| # hdf5/netcdf4. | ||
| configopts += 'with_netcdf="${EBROOTNETCDF}" ' | ||
| configopts += 'with_netcdf_fortran="${EBROOTNETCDFMINFORTRAN}" ' | ||
| configopts += 'with_hdf5="${EBROOTHDF5}" ' | ||
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| # abinit must be run under mpirun with Intel MPI included in intel/2020a | ||
| pretestopts = "sed -i 's@./abinit testin@mpirun -np 1 ./abinit testin@g' Makefile && " | ||
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| # 'make check' is just executing some basic unit tests. | ||
| # Also running 'make tests_v1' to have some basic validation | ||
| runtest = "check && make test_v1" | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']], | ||
| 'dirs': ['lib/pkgconfig'], | ||
| } | ||
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| moduleclass = 'chem' |
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| Original file line number | Diff line number | Diff line change |
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| easyblock = 'MakeCp' | ||
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| name = 'ABRA2' | ||
| version = '2.23' | ||
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| homepage = 'https://github.com/mozack/abra2' | ||
| description = "Assembly Based ReAligner" | ||
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| toolchain = {'name': 'GCC', 'version': '9.3.0'} | ||
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| source_urls = ['https://github.com/mozack/abra2/archive/'] | ||
| sources = ['v%(version)s.tar.gz'] | ||
| patches = ['ABRA2-2.22_fix-Makefile.patch'] | ||
| checksums = [ | ||
| '3993f66a493070ee49df2865b6786a45a0cf6c379bae83e94b8339abbe673289', # v2.23.tar.gz | ||
| '05090efb306fc84d09f007a848ce0d0472f8633633b0a6eaf86ab075d092bc0d', # ABRA2-2.22_fix-Makefile.patch | ||
| ] | ||
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| builddependencies = [('Maven', '3.6.3', '', True)] | ||
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| dependencies = [ | ||
| ('Java', '11', '', True), | ||
| ('BWA', '0.7.17'), | ||
| ] | ||
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| parallel = 1 | ||
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| buildopts = 'CXX="$CXX" CXXFLAGS="$CXXFLAGS"' | ||
| buildopts += '&& make standalone CXX="$CXX" CXXFLAGS="$CXXFLAGS"' | ||
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| files_to_copy = [ | ||
| (['abra'], 'bin'), | ||
| (['target/libAbra.%s' % SHLIB_EXT], 'lib'), | ||
| 'target/abra2-%(version)s-jar-with-dependencies.jar', | ||
| ] | ||
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| postinstallcmds = ["cd %(installdir)s && mv abra2-%(version)s-jar-with-dependencies.jar abra2-%(version)s.jar"] | ||
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| sanity_check_paths = { | ||
| 'files': ['abra2-%(version)s.jar', 'bin/abra', 'lib/libAbra.%s' % SHLIB_EXT], | ||
| 'dirs': [], | ||
| } | ||
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| moduleclass = 'bio' |
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,35 @@ | ||
| easyblock = 'MakeCp' | ||
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| name = 'ACTC' | ||
| version = '1.1' | ||
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| homepage = 'https://sourceforge.net/projects/actc' | ||
| description = "ACTC converts independent triangles into triangle strips or fans." | ||
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| toolchain = {'name': 'GCCcore', 'version': '9.3.0'} | ||
| toolchainopts = {'pic': True} | ||
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| source_urls = [SOURCEFORGE_SOURCE] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['3a1303291629b9de6008c3c9d7b020a4b854802408fb3f8222ec492808c8b44d'] | ||
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| builddependencies = [('binutils', '2.34')] | ||
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| buildopts = 'CC="$CC" CFLAGS="$CFLAGS"' | ||
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| files_to_copy = [ | ||
| (['tcsample', 'tctest', 'tctest2'], 'bin'), | ||
| (['tc.h'], 'include/ac'), | ||
| (['libactc.a'], 'lib'), | ||
| 'COPYRIGHT', 'manual.html', 'prims.gif', 'README', | ||
| ] | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/tctest', 'bin/tctest2', 'bin/tcsample', 'include/ac/tc.h', 'lib/libactc.a', | ||
| 'COPYRIGHT', 'manual.html', 'prims.gif', 'README'], | ||
| 'dirs': [], | ||
| } | ||
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| modextrapaths = {'CPATH': 'include/ac'} | ||
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| moduleclass = 'lib' |
32 changes: 32 additions & 0 deletions
32
easybuild/easyconfigs/a/APR-util/APR-util-1.6.1-GCCcore-10.2.0.eb
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,32 @@ | ||
| easyblock = 'ConfigureMake' | ||
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| name = 'APR-util' | ||
| version = '1.6.1' | ||
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| homepage = 'https://apr.apache.org/' | ||
| description = "Apache Portable Runtime (APR) util libraries." | ||
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| toolchain = {'name': 'GCCcore', 'version': '10.2.0'} | ||
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| source_urls = ['https://archive.apache.org/dist/apr/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['b65e40713da57d004123b6319828be7f1273fbc6490e145874ee1177e112c459'] | ||
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| builddependencies = [('binutils', '2.35')] | ||
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| dependencies = [ | ||
| ('APR', '1.7.0'), | ||
| ('SQLite', '3.33.0'), | ||
| ('expat', '2.2.9'), | ||
| ] | ||
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| configopts = "--with-apr=$EBROOTAPR/bin/apr-1-config --with-sqlite3=$EBROOTSQLITE --with-expat=$EBROOTEXPAT " | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/apu-1-config", "lib/libaprutil-1.%s" % SHLIB_EXT, "lib/libaprutil-1.a"], | ||
| 'dirs': ["include/apr-1"], | ||
| } | ||
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| parallel = 1 | ||
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| moduleclass = 'tools' |
32 changes: 32 additions & 0 deletions
32
easybuild/easyconfigs/a/APR-util/APR-util-1.6.1-GCCcore-9.3.0.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,32 @@ | ||
| easyblock = 'ConfigureMake' | ||
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| name = 'APR-util' | ||
| version = '1.6.1' | ||
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| homepage = 'https://apr.apache.org/' | ||
| description = "Apache Portable Runtime (APR) util libraries." | ||
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| toolchain = {'name': 'GCCcore', 'version': '9.3.0'} | ||
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| source_urls = ['https://archive.apache.org/dist/apr/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['b65e40713da57d004123b6319828be7f1273fbc6490e145874ee1177e112c459'] | ||
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| builddependencies = [('binutils', '2.34')] | ||
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| dependencies = [ | ||
| ('APR', '1.7.0'), | ||
| ('SQLite', '3.31.1'), | ||
| ('expat', '2.2.9'), | ||
| ] | ||
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| configopts = "--with-apr=$EBROOTAPR/bin/apr-1-config --with-sqlite3=$EBROOTSQLITE --with-expat=$EBROOTEXPAT " | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/apu-1-config", "lib/libaprutil-1.%s" % SHLIB_EXT, "lib/libaprutil-1.a"], | ||
| 'dirs': ["include/apr-1"], | ||
| } | ||
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| parallel = 1 | ||
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| moduleclass = 'tools' |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,22 @@ | ||
| easyblock = 'ConfigureMake' | ||
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| name = 'APR' | ||
| version = '1.7.0' | ||
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| homepage = 'https://apr.apache.org/' | ||
| description = "Apache Portable Runtime (APR) libraries." | ||
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| toolchain = {'name': 'GCCcore', 'version': '10.2.0'} | ||
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| source_urls = ['https://archive.apache.org/dist/apr/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['48e9dbf45ae3fdc7b491259ffb6ccf7d63049ffacbc1c0977cced095e4c2d5a2'] | ||
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| builddependencies = [('binutils', '2.35')] | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/apr-1-config", "lib/libapr-1.%s" % SHLIB_EXT, "lib/libapr-1.a"], | ||
| 'dirs': ["include/apr-1"], | ||
| } | ||
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| moduleclass = 'tools' |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,22 @@ | ||
| easyblock = 'ConfigureMake' | ||
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| name = 'APR' | ||
| version = '1.7.0' | ||
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| homepage = 'https://apr.apache.org/' | ||
| description = "Apache Portable Runtime (APR) libraries." | ||
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| toolchain = {'name': 'GCCcore', 'version': '9.3.0'} | ||
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| source_urls = ['https://archive.apache.org/dist/apr/'] | ||
| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['48e9dbf45ae3fdc7b491259ffb6ccf7d63049ffacbc1c0977cced095e4c2d5a2'] | ||
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| builddependencies = [('binutils', '2.34')] | ||
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| sanity_check_paths = { | ||
| 'files': ["bin/apr-1-config", "lib/libapr-1.%s" % SHLIB_EXT, "lib/libapr-1.a"], | ||
| 'dirs': ["include/apr-1"], | ||
| } | ||
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| moduleclass = 'tools' |
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