add easyconfigs in 2020b toolchains to archive

easybuild/easyconfigs/__archive__/a/ABINIT/ABINIT-9.4.1-foss-2020b.eb

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+easyblock = 'ConfigureMake'
+
+name = 'ABINIT'
+version = '9.4.1'
+
+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."""
+
+toolchain = {'name': 'foss', 'version': '2020b'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = ['https://www.abinit.org/sites/default/files/packages/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['ec74133ef9d247cb6ad44c205675694919cf36d7f1682a9b85cae8bdecdc22a8']
+
+builddependencies = [
+    ('Python', '3.8.6'),
+]
+dependencies = [
+    ('libxc', '4.3.4'),
+    ('netCDF', '4.7.4'),
+    ('netCDF-Fortran', '4.5.3'),
+    ('HDF5', '1.10.7'),
+    ('Wannier90', '3.1.0'),
+]
+
+# Needed due to changes in GCC10.
+configopts = 'FCFLAGS="-fallow-argument-mismatch -ffree-line-length-none $FCFLAGS" '
+configopts += 'FFLAGS="-fallow-argument-mismatch $FFLAGS" '
+
+# Ensure MPI
+configopts += '--with-mpi="yes" --enable-openmp="no" '
+# configopts += ' FC="mpiifort" CC="mpiicc" CXX="mpiicpc" '
+
+# BLAS/Lapack from OpenBLAS
+configopts += '--with-linalg-flavor="openblas"  LINALG_LIBS="${LIBLAPACK_MT}" '
+
+# FFTW
+configopts += '--with-fft-flavor=fftw3 FFTW3_LIBS="-L${EBROOTFFTW} -lfftw3f -lfftw3" '
+
+# libxc support
+configopts += '--with-libxc=${EBROOTLIBXC} '
+
+# hdf5/netcdf4 support
+configopts += '--with-netcdf="${EBROOTNETCDF}" '
+configopts += '--with-netcdf-fortran="${EBROOTNETCDFMINFORTRAN}" '
+configopts += '--with-hdf5="${EBROOTHDF5}" '
+
+# Wannier90
+configopts += '--with-wannier90="${EBROOTWANNIER90}" '
+preconfigopts = 'export WANNIER90_LIBS="-L$EBROOTWANNIER90/lib -lwannier" && '
+
+# 'make check' is just executing some basic unit tests.
+# Also running 'make tests_v1' to have some basic validation
+runtest = "check && make test_v1"
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'chem'

easybuild/easyconfigs/__archive__/a/ABINIT/ABINIT-9.4.1-intel-2020b.eb

@@ -0,0 +1,61 @@
+easyblock = 'ConfigureMake'
+
+name = 'ABINIT'
+version = '9.4.1'
+
+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."""
+
+toolchain = {'name': 'intel', 'version': '2020b'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = ['https://www.abinit.org/sites/default/files/packages/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['ec74133ef9d247cb6ad44c205675694919cf36d7f1682a9b85cae8bdecdc22a8']
+
+builddependencies = [
+    ('Python', '3.8.6'),
+]
+dependencies = [
+    ('libxc', '4.3.4'),
+    ('netCDF', '4.7.4'),
+    ('netCDF-Fortran', '4.5.3'),
+    ('HDF5', '1.10.7'),
+    ('Wannier90', '3.1.0'),
+]
+
+# Ensure MPI with intel wrappers.
+configopts = '--with-mpi="yes" --enable-openmp="no" '
+configopts += ' FC="mpiifort" CC="mpiicc" CXX="mpiicpc" '
+
+# BLAS/Lapack from MKL
+configopts += '--with-linalg-flavor=mkl '
+
+# FFTW from MKL
+configopts += '--with-fft-flavor=dfti '
+
+# libxc support
+configopts += '--with-libxc=${EBROOTLIBXC} '
+
+# hdf5/netcdf4 support
+configopts += '--with-netcdf="${EBROOTNETCDF}" '
+configopts += '--with-netcdf-fortran="${EBROOTNETCDFMINFORTRAN}" '
+configopts += '--with-hdf5="${EBROOTHDF5}" '
+
+# Wannier90
+configopts += '--with-wannier90="${EBROOTWANNIER90}" '
+preconfigopts = 'export WANNIER90_LIBS="-L$EBROOTWANNIER90/lib -lwannier" && '
+
+# 'make check' is just executing some basic unit tests.
+# Also running 'make tests_v1' to have some basic validation
+runtest = "check && make test_v1"
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'chem'

easybuild/easyconfigs/__archive__/a/ABRA2/ABRA2-2.23-GCC-10.2.0.eb

@@ -0,0 +1,47 @@
+easyblock = 'MakeCp'
+
+name = 'ABRA2'
+version = '2.23'
+
+homepage = 'https://github.com/mozack/abra2'
+description = "Assembly Based ReAligner"
+
+toolchain = {'name': 'GCC', 'version': '10.2.0'}
+
+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
+]
+
+builddependencies = [('Maven', '3.6.3', '', SYSTEM)]
+
+dependencies = [
+    ('Java', '11', '', SYSTEM),
+    ('BWA', '0.7.17'),
+]
+
+maxparallel = 1
+
+buildopts = 'CXX="$CXX" CXXFLAGS="$CXXFLAGS"'
+buildopts += '&& make standalone CXX="$CXX" CXXFLAGS="$CXXFLAGS"'
+
+files_to_copy = [
+    (['abra'], 'bin'),
+    (['target/libAbra.%s' % SHLIB_EXT], 'lib'),
+    'target/abra2-%(version)s-jar-with-dependencies.jar',
+]
+
+postinstallcmds = ["cd %(installdir)s && mv abra2-%(version)s-jar-with-dependencies.jar abra2-%(version)s.jar"]
+
+sanity_check_paths = {
+    'files': ['abra2-%(version)s.jar', 'bin/abra', 'lib/libAbra.%s' % SHLIB_EXT],
+    'dirs': [],
+}
+
+# required to work around localization bug, see https://github.com/mozack/abra2/issues/25
+modextravars = {'LC_ALL': 'en_US.UTF-8'}
+
+moduleclass = 'bio'

easybuild/easyconfigs/__archive__/a/ABySS/ABySS-2.2.5-foss-2020b.eb

@@ -0,0 +1,29 @@
+easyblock = 'ConfigureMake'
+
+name = 'ABySS'
+version = '2.2.5'
+
+homepage = 'https://www.bcgsc.ca/platform/bioinfo/software/abyss'
+description = """Assembly By Short Sequences - a de novo, parallel, paired-end sequence assembler"""
+
+toolchain = {'name': 'foss', 'version': '2020b'}
+toolchainopts = {'usempi': True}
+
+source_urls = ['https://github.com/bcgsc/abyss/releases/download/%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['38e886f455074c76b32dd549e94cc345f46cb1d33ab11ad3e8e1f5214fc65521']
+
+dependencies = [
+    ('Boost', '1.74.0'),
+    ('sparsehash', '2.0.4'),
+    ('SQLite', '3.33.0'),
+]
+
+configopts = 'CXXFLAGS="$CXXFLAGS -Wno-error=deprecated-copy"'
+
+sanity_check_paths = {
+    'files': ["bin/ABYSS", "bin/ABYSS-P"],
+    'dirs': []
+}
+
+moduleclass = 'bio'

easybuild/easyconfigs/__archive__/a/ACTC/ACTC-1.1-GCCcore-10.2.0.eb

@@ -0,0 +1,38 @@
+##
+# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+easyblock = 'MakeCp'
+
+name = 'ACTC'
+version = '1.1'
+
+homepage = 'https://sourceforge.net/projects/actc'
+description = "ACTC converts independent triangles into triangle strips or fans."
+
+toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [SOURCEFORGE_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['3a1303291629b9de6008c3c9d7b020a4b854802408fb3f8222ec492808c8b44d']
+
+builddependencies = [('binutils', '2.35')]
+
+buildopts = 'CC="$CC" CFLAGS="$CFLAGS"'
+
+files_to_copy = [
+    (['tcsample', 'tctest', 'tctest2'], 'bin'),
+    (['tc.h'], 'include/ac'),
+    (['libactc.a'], 'lib'),
+    'COPYRIGHT', 'manual.html', 'prims.gif', 'README',
+]
+
+sanity_check_paths = {
+    'files': ['bin/tctest', 'bin/tctest2', 'bin/tcsample', 'include/ac/tc.h', 'lib/libactc.a',
+              'COPYRIGHT', 'manual.html', 'prims.gif', 'README'],
+    'dirs': [],
+}
+
+modextrapaths = {MODULE_LOAD_ENV_HEADERS: 'include/ac'}
+
+moduleclass = 'lib'

easybuild/easyconfigs/__archive__/a/AIMAll/AIMAll-19.10.12-intel-2020b-linux_64bit.eb

@@ -0,0 +1,39 @@
+easyblock = 'Tarball'
+
+name = 'AIMAll'
+version = '19.10.12'
+versionsuffix = '-linux_64bit'
+
+homepage = 'http://aim.tkgristmill.com'
+description = """
+AIMAll is an easy to use, accurate, reliable and efficient quantum chemistry software package for performing
+comprehensive, quantitative and visual QTAIM analyses of molecular systems - starting from molecular wavefunction
+data."""
+
+toolchain = {'name': 'intel', 'version': '2020b'}
+
+download_instructions = """Download sources from http://aim.tkgristmill.com/download/download.html (requires login).
+To run in professional mode, add required license files to the main AIMAll directory."""
+sources = [
+    {'filename': 'aimall_%s_linux_64bit.tar.gz' % version.replace('.', '_'),
+     'extract_cmd': 'tar -xzf %s --strip-components=1'},
+    # {'filename': 'license_file_b.lslicb', 'extract_cmd': 'cp %s .'},
+    # {'filename': 'license_file_a.lslica', 'extract_cmd': 'cp %s .'},
+]
+checksums = [
+    'bf369ec8dd829c23a954b1c405edc7d8a01034d106cabc9c332bf7c4c177a54c',  # aimall_19_10_12_linux_64bit.tar.gz
+]
+
+buildininstalldir = True
+skipsteps = ['install']
+
+modextrapaths = {'PATH': ''}
+
+sanity_check_paths = {
+    'files': ['bin/%s.exe' % x for x in ['aimext', 'aimint', 'aimqb', 'aimstudio', 'aimsum', 'aimutil']],
+    'dirs': [],
+}
+
+sanity_check_commands = ['aimqb.ish -nogui -help']
+
+moduleclass = 'chem'

easybuild/easyconfigs/__archive__/a/AMPHORA2/AMPHORA2-20190730-gompi-2020b-Java-13-pthreads-avx2.eb

@@ -0,0 +1,51 @@
+# Author: Jasper Grimm (UoY)
+
+easyblock = 'Tarball'
+
+name = 'AMPHORA2'
+version = '20190730'
+local_commit = '9fb9ce8'
+local_raxmlsuffix = '-pthreads-avx2'
+local_javasuffix = '-Java-%(javaver)s'
+versionsuffix = local_javasuffix + local_raxmlsuffix
+
+homepage = 'https://github.com/wu-lab-uva/AMPHORA2'
+description = "An Automated Phylogenomic Inference Pipeline for Bacterial and Archaeal Sequences."
+
+toolchain = {'name': 'gompi', 'version': '2020b'}
+
+github_account = 'wu-lab-uva'
+source_urls = [GITHUB_SOURCE]
+sources = ['%s.tar.gz' % local_commit]
+checksums = ['2d361fcc2b800c3daaf25692988af6105669cba2ff513aba82f36089beb2839f']
+
+dependencies = [
+    ('Perl', '5.32.0'),
+    ('Java', '13', '', SYSTEM),
+    ('BioPerl', '1.7.8'),
+    ('HMMER', '3.3.2'),
+    ('EMBOSS', '6.6.0', local_javasuffix),
+    ('RAxML', '8.2.12', local_raxmlsuffix),
+]
+
+local_scripts = ['%s.pl' % x for x in ['MarkerAlignTrim', 'MarkerScanner', 'Phylotyping']]
+fix_perl_shebang_for = ['Scripts/*.pl']
+
+# Exit with code 0 when running -Help
+preinstall_cmd = "sed -i 's|die $usage if $help|if ($help) {print $usage; exit 0}|g' Scripts/*.pl && "
+# Fix RAxML binary name
+preinstall_cmd += "sed -i 's|raxmlHPC-PTHREADS|raxmlHPC%s|g' Scripts/Phylotyping.pl" % local_raxmlsuffix.upper()
+
+sanity_check_paths = {
+    'files': ['Scripts/%s' % x for x in local_scripts],
+    'dirs': [],
+}
+
+sanity_check_commands = ["%s -Help" % x for x in local_scripts]
+
+modextrapaths = {
+    'AMPHORA2_home': '',
+    'PATH': 'Scripts',
+}
+
+moduleclass = 'bio'

easybuild/easyconfigs/__archive__/a/AMS/AMS-2020.102-iimpi-2020b-intelmpi.eb

@@ -0,0 +1,43 @@
+easyblock = 'Tarball'
+
+name = 'AMS'
+version = '2020.102'
+versionsuffix = '-intelmpi'
+
+homepage = 'https://www.scm.com/amsterdam-modeling-suite/'
+description = """
+The Amsterdam Modeling Suite (AMS) provides a comprehensive set of modules for computational chemistry and materials
+science, from quantum mechanics to fluid thermodynamics.
+"""
+
+toolchain = {'name': 'iimpi', 'version': '2020b'}
+
+sources = ['ams%(version)s.pc64_linux.intelmpi.bin.tgz']
+checksums = ['8a68eef268d7eb53ea1e10f66a48a8280f4dadae585999096ba1c246e88989db']
+download_instructions = f"""{name} requires manual download from {homepage}
+Required download: {' '.join(sources)}"""
+
+dependencies = [('libGLU', '9.0.1')]
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['atomicdata', 'bin', 'examples'],
+}
+
+modextrapaths = {
+    'AMSHOME': '',
+    'AMSBIN': 'bin',
+    'AMSRESOURCES': 'atomicdata',
+}
+
+modextravars = {
+    # use Intel MPI from EasyBuild
+    'SCM_USE_LOCAL_IMPI': '1',
+}
+
+modloadmsg = """These environment variables need to be defined before using AMS:
+  * $SCMLICENSE: path to AMS license file
+  * $SCM_TMPDIR: path to user scratch directory
+"""
+
+moduleclass = 'chem'