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modified: v/VASP/VASP-6.4.2-intel-2022b.eb

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modified:   v/VASP/VASP-6.4.2-intel-2023b-DFT-D4.eb
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Pavel Holba 2025-03-28 09:57:45 +01:00
parent 788484f01c
commit 431f90adbe
2 changed files with 6 additions and 8 deletions
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7
v/VASP/VASP-6.4.2-intel-2022b.eb
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@ -21,11 +21,10 @@ toolchain = {'name': 'intel', 'version': '2022b'}
# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on # Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on
# how to get access to the code # how to get access to the code
sources = ['%(namelower)s.%(version)s.tgz'] sources = ['%(namelower)s.%(version)s.tgz']
patches = ['VASP-%(version)s-NVHPC-23.5-CUDA-12.2.0-adjust-makefile.patch'] patches = ['VASP-%(version)s-intel-hdf5.patch']
checksums = [ checksums = [
{'vasp.%(version)s.tgz': 'b704637f7384673f91adfbc803edc5cc7fe736d9623453461f7cdc29b123410e'}, {'vasp.%(version)s.tgz': 'b704637f7384673f91adfbc803edc5cc7fe736d9623453461f7cdc29b123410e'},
{'VASP-%(version)s-NVHPC-23.5-CUDA-12.2.0-adjust-makefile.patch': {'VASP-%(version)s-intel-hdf5.patch': '527fb3ae96d9b431aa5aa2c93355d3efe8350ab9b8c2d52e300a89c93f9e88d9'},
'dfc717642ae2ce9b04ed78439fc4d1072dc0d08df4aca2da881b944f2e75625e'},
] ]
# use serial compilation of W90, see https://www.vasp.at/wiki/index.php/Makefile.include#Wannier90_.28optional.29 # use serial compilation of W90, see https://www.vasp.at/wiki/index.php/Makefile.include#Wannier90_.28optional.29
@ -48,7 +47,7 @@ prebuildopts += 'unset LIBS && '
buildopts = 'std gam ncl ' buildopts = 'std gam ncl '
parallel = 1 max_parallel = 1
files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')] files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
sanity_check_paths = { sanity_check_paths = {

7
v/VASP/VASP-6.4.2-intel-2023b-DFT-D4.eb
View File

@ -22,11 +22,10 @@ toolchain = {'name': 'intel', 'version': '2023b'}
# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on # Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on
# how to get access to the code # how to get access to the code
sources = ['%(namelower)s.%(version)s.tgz'] sources = ['%(namelower)s.%(version)s.tgz']
#patches = ['VASP-%(version)s-NVHPC-23.5-CUDA-12.2.0-adjust-makefile.patch'] patches = ['VASP-%(version)s-intel-hdf5.patch']
checksums = [ checksums = [
{'vasp.%(version)s.tgz': 'b704637f7384673f91adfbc803edc5cc7fe736d9623453461f7cdc29b123410e'}, {'vasp.%(version)s.tgz': 'b704637f7384673f91adfbc803edc5cc7fe736d9623453461f7cdc29b123410e'},
{'VASP-%(version)s-NVHPC-23.5-CUDA-12.2.0-adjust-makefile.patch': {'VASP-%(version)s-intel-hdf5.patch': '527fb3ae96d9b431aa5aa2c93355d3efe8350ab9b8c2d52e300a89c93f9e88d9'},
'dfc717642ae2ce9b04ed78439fc4d1072dc0d08df4aca2da881b944f2e75625e'},
] ]
# use serial compilation of W90, see https://www.vasp.at/wiki/index.php/Makefile.include#Wannier90_.28optional.29 # use serial compilation of W90, see https://www.vasp.at/wiki/index.php/Makefile.include#Wannier90_.28optional.29
@ -58,7 +57,7 @@ prebuildopts += 'unset LIBS && '
buildopts = 'std gam ncl ' buildopts = 'std gam ncl '
parallel = 1 max_parallel = 1
files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')] files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
sanity_check_paths = { sanity_check_paths = {