diff --git a/y/Yambo/Yambo-5.1.0-intel-2020a.eb.bak_20220715124556_61837 b/y/Yambo/Yambo-5.1.0-intel-2020a.eb.bak_20220715124556_61837 deleted file mode 100644 index 32d571ae..00000000 --- a/y/Yambo/Yambo-5.1.0-intel-2020a.eb.bak_20220715124556_61837 +++ /dev/null @@ -1,79 +0,0 @@ -# IT4Innovations 2022 -# LK JK - -easyblock = 'MakeCp' - -name = 'Yambo' -version = '5.1.0' - -homepage = 'http://www.yambo-code.org' -description = """Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics. - Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf.""" - -toolchain = {'name': 'intel', 'version': '2020a'} -import os -if os.environ.get("CLUSTERNAME") in ["KAROLINA"]: - toolchainopts = {'usempi': True, 'optarch': 'march=core-avx2'} -else: - toolchainopts = {'usempi': True} - -local_copy_cmd_pattern = 'cp %s yambo-%(version)s/lib/archive/' - -source_urls = ['https://github.com/yambo-code/yambo/archive/refs/tags/'] -sources = [ - '%(version)s.tar.gz', # Yambo - { - 'source_urls': ['https://github.com/yambo-code/yambo-libraries/archive/'], - 'filename': '0.0.2.tar.gz', - 'extract_cmd': 'tar --strip-components=1 -xzf %s -C yambo-%(version)s/lib/yambo/', - }, -# { -# 'source_urls': ['https://github.com/yambo-code/yambo/files/783150/'], -# 'filename': 'libxc-2.2.3.tar.gz', -# 'extract_cmd': local_copy_cmd_pattern, -# }, -# { -# 'source_urls': ['https://github.com/yambo-code/yambo/files/962173/'], -# 'filename': 'iotk-y1.2.2.tar.gz', -# 'extract_cmd': local_copy_cmd_pattern, -# }, -] - -checksums = ['ce8d4af0f29e996f797a5823ee70b559dc8cc6ed5cc59eadb9a0abbe20ebf04f'] - -dependencies = [ - ('netCDF-Fortran', '4.5.2'), - ('libxc', '5.1.5'), - ('IOTK', '1.2.2'), -] - -#with_configure = True - -#configopts = 'CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" ' -#configopts += '--with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" ' -#configopts += '--with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" ' -#configopts += '--with-netcdf-libs="-lnetcdff -lnetcdf" ' -#configopts += '--with-hdf5-path=$EBROOTHDF5 ' -#configopts += '--with-libxc-path=$EBROOTLIBXC ' -#configopts += '--enable-iotk ' -#onfigopts += '--with-iotk-path=$EBROOTIOTK ' -#configopts += '--enable-dp --enable-memory-profile --disable-open-mp ' - -prebuildopts = './configure --build=x86_64-pc-linux-gnu --host=x86_64-pc-linux-gnu CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" --with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" --with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" --with-netcdf-libs="-lnetcdff -lnetcdf" --with-hdf5-path=$EBROOTHDF5 --with-libxc-path=$EBROOTLIBXC --enable-iotk --with-iotk-path=$EBROOTIOTK --enable-dp --enable-memory-profile --disable-open-mp && ' - -buildopts = 'all' - -parallel = 1 - -files_to_copy = [ - (['bin/*'], 'bin'), - (['lib/*.a'], 'lib'), - (['include/*'], 'include'), -] - -sanity_check_paths = { - 'files': ['bin/' + x for x in ['a2y', 'p2y', 'yambo', 'ypp']], - 'dirs': [] -} - -moduleclass = 'phys' diff --git a/y/Yambo/Yambo-5.1.0-intel-2021a.eb.old b/y/Yambo/Yambo-5.1.0-intel-2021a.eb.old deleted file mode 100644 index fb27d02d..00000000 --- a/y/Yambo/Yambo-5.1.0-intel-2021a.eb.old +++ /dev/null @@ -1,86 +0,0 @@ -# IT4Innovations 2022 -# LK JK - -easyblock = 'MakeCp' - -name = 'Yambo' -version = '5.1.0' - -homepage = 'http://www.yambo-code.org' -description = """Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics. - Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf.""" - -toolchain = {'name': 'intel', 'version': '2021a'} -import os -if os.environ.get("CLUSTERNAME") in ["KAROLINA"]: - toolchainopts = {'usempi': True, 'optarch': 'march=core-avx2'} -else: - toolchainopts = {'usempi': True} - -local_copy_cmd_pattern = 'cp %s yambo-%(version)s/lib/archive/' - -source_urls = ['https://github.com/yambo-code/yambo/archive/refs/tags/'] -sources = [ - '%(version)s.tar.gz', # Yambo - { - 'source_urls': ['https://github.com/yambo-code/yambo-libraries/archive/'], - 'filename': '0.0.2.tar.gz', - 'extract_cmd': 'tar --strip-components=1 -xzf %s -C yambo-%(version)s/lib/yambo/', - }, -# { -# 'source_urls': ['https://github.com/yambo-code/yambo/files/783150/'], -# 'filename': 'libxc-2.2.3.tar.gz', -# 'extract_cmd': local_copy_cmd_pattern, -# }, - { - 'source_urls': ['https://github.com/yambo-code/yambo/files/962173/'], - 'filename': 'iotk-y1.2.2.tar.gz', - 'extract_cmd': local_copy_cmd_pattern, - }, -] - -checksums = [ - 'ce8d4af0f29e996f797a5823ee70b559dc8cc6ed5cc59eadb9a0abbe20ebf04f', # 5.1.0.tar.gz - 'cac7e4bf93e16d3cdf640d034e15854455a08dad796aece3cad5c7c491a68a59', # 0.0.2.tar.gz -# '2f2b00b77a75c7fe8fe3f3ae70700cf28a09ff8d0ce791e47980ff7f9cde68e7', # libxc-2.2.3.tar.gz - 'c0a4eb19f3e885d83d7afa52eb90658fba7cb1cb6e66049866a98dcc980de543', # iotk-y1.2.2.tar.gz -] - -dependencies = [ - ('HDF5', '1.10.7'), - ('netCDF', '4.8.0'), - ('netCDF-Fortran', '4.5.3'), - ('libxc', '5.1.5'), - ('IOTK', '1.2.2'), -] - -#with_configure = True - -#configopts = 'CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" ' -#configopts += '--with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" ' -#configopts += '--with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" ' -#configopts += '--with-netcdf-libs="-lnetcdff -lnetcdf" ' -#configopts += '--with-hdf5-path=$EBROOTHDF5 ' -#configopts += '--with-libxc-path=$EBROOTLIBXC ' -#configopts += '--enable-iotk ' -#onfigopts += '--with-iotk-path=$EBROOTIOTK ' -#configopts += '--enable-dp --enable-memory-profile --disable-open-mp ' - -prebuildopts = './configure --build=x86_64-pc-linux-gnu --host=x86_64-pc-linux-gnu CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" --with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" --with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" --with-netcdf-libs="-lnetcdff -lnetcdf" --with-hdf5-path=$EBROOTHDF5 --with-libxc-path=$EBROOTLIBXC --enable-iotk --with-iotk-path=$EBROOTIOTK --enable-dp --enable-memory-profile --disable-open-mp && ' - -buildopts = 'all' - -parallel = 1 - -files_to_copy = [ - (['bin/*'], 'bin'), - (['lib/*.a'], 'lib'), - (['include/*'], 'include'), -] - -sanity_check_paths = { - 'files': ['bin/' + x for x in ['a2y', 'p2y', 'yambo', 'ypp']], - 'dirs': [] -} - -moduleclass = 'phys'