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Author SHA1 Message Date
Jakub Kropacek
43ddb383a1
Merge branch 'it4i-karolina' 2022-07-11 10:45:35 +02:00
Jakub Kropacek
3ffe30b13e new file: q/QuantumESPRESSO/QuantumESPRESSO-7.1-foss-2022a.eb 
new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a.eb
 2022-07-11 10:45:10 +02:00
Lukas Krupcik
b8d802c5a7 Merge branch 'it4i-barbora' 2022-07-08 13:51:10 +02:00
Lukas Krupcik
1c752926fe Merge branch 'it4i-karolina' 2022-07-08 13:51:10 +02:00
Lukas Krupcik
dd9940485d new file: n/nano/nano-6.3.eb 2022-07-08 13:49:53 +02:00
Lukas Krupcik
28d1706c8a new file: c/CheMPS2/CheMPS2-1.8.9-intel-2021a.eb 
new file:   g/GlobalArrays/GlobalArrays-5.8-intel-2021a.eb
	new file:   h/HDF5/HDF5-1.13.1-gompi-2022a.eb
	new file:   h/HDF5/HDF5-1.13.1-iimpi-2022a.eb
	new file:   o/OpenMolcas/OpenMolcas-22.06-intel-2021a.eb
	new file:   v/VASP/VASP-6.3.1-foss-2022a.eb
	modified:   v/VASP/VASP-6.3.1-intel-2021b.eb
	new file:   w/Wannier90/Wannier90-3.1.0-foss-2022a-serial.eb
	deleted:    v/VASP/VASP-6.3.1-intel-2021b-cluster-independent.patch
	deleted:    v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential.eb
 2022-07-08 13:49:39 +02:00
Jakub Kropacek
4981732c93
Merge branch 'it4i-barbora' 2022-07-04 16:09:49 +02:00
Jakub Kropacek
a5c9bb7ac1
Merge branch 'it4i-karolina' 2022-07-04 16:09:42 +02:00
Jakub Kropacek
3d8709240c modified: v/VTune/VTune-2020_update3-GCC.eb 
modified:   v/VTune/VTune-2022.2.0-intel-2021b.eb
 2022-07-04 16:09:29 +02:00
Jakub Kropacek
23c2fe6f16 new file: v/VASP/VASP-5.4.4-intel-2020a.eb 
modified:   y/Yambo/Yambo-5.1.0-intel-2021a.eb
 2022-07-04 16:08:58 +02:00
Lukas Krupcik
1bc7173999 Merge branch 'it4i-barbora' 2022-07-04 08:49:19 +02:00
Lukas Krupcik
798236f910 Merge branch 'it4i-karolina' 2022-07-04 08:49:19 +02:00
Lukas Krupcik
f6877b7b4e new file: s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022a.eb 
new file:   v/VTune/VTune-2022.2.0-intel-2021b.eb
 2022-07-04 08:49:03 +02:00
Lukas Krupcik
7617b9f04c new file: o/OpenVDB/OpenVDB-9.1.0-intel-2020b-Python-3.8.6.eb 
modified:   y/Yambo/Yambo-5.1.0-intel-2021a.eb
 2022-07-04 08:48:53 +02:00
Jakub Kropacek
327f6d99c8
Merge branch 'it4i-karolina' 2022-06-30 15:10:57 +02:00
Jakub Kropacek
7326630d3d new file: i/impi/impi-2021.5.0-intel-compilers-2022.0.1.eb 
new file:   i/impi/impi-2021.6.0-intel-compilers-2022.1.0.eb
 2022-06-30 15:10:31 +02:00
Jakub Kropacek
a20079a16f
Merge branch 'it4i-karolina' 2022-06-30 13:22:50 +02:00
Jakub Kropacek
397ac17f8b new file: o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb 2022-06-30 13:22:16 +02:00
Jakub Kropacek
adf63912de
Merge branch 'it4i-karolina' 2022-06-29 15:28:09 +02:00
Jakub Kropacek
15473f1373 new file: f/Forge/Forge-22.0.2.eb 
new file:   o/OpenMolcas/OpenMolcas-22.06-intel-2020b-Python-3.8.6.eb
	new file:   v/VASP/VASP-6.3.1-intel-2021b.eb
	deleted:    v/VASP/VASP-6.3.1-intel-2021b-new.eb
 2022-06-29 15:27:44 +02:00
Lukas Krupcik
78029240ff Merge branch 'it4i-karolina' 2022-06-28 09:58:38 +02:00
Lukas Krupcik
0f99747460 new file: y/Yambo/Yambo-5.1.0-intel-2021a.eb 2022-06-28 09:58:15 +02:00
Jakub Kropacek
8ace77c53a
Merge branch 'it4i-karolina' 2022-06-27 17:28:50 +02:00
Jakub Kropacek
a9c4b8bc1e new file: h/HyperQueue/HyperQueue-0.11.0.eb 
new file:   v/VASP/VASP-6.3.1-intel-2021b-new.eb
 2022-06-27 17:28:18 +02:00
Jakub Kropacek
b3a7c040ce
Merge branch 'it4i-barbora' 2022-06-24 13:56:35 +02:00
Jakub Kropacek
ec057663a4 new file: h/HDF5/HDF5-1.10.7-gompi-2021a-serial.eb 
new file:   h/HDF5/HDF5-1.10.7-iimpi-2021a-serial.eb
	new file:   h/HDF5/HDF5-1.12.1-gompi-2021b-serial.eb
	new file:   h/HDF5/HDF5-1.12.1-iimpi-2021b-serial.eb
	modified:   h/HDF5/HDF5-1.12.1-iimpi-2021b.eb
 2022-06-24 13:56:22 +02:00
Jakub Kropacek
f024b49e95
Merge branch 'it4i-barbora' 2022-06-24 12:26:38 +02:00
Jakub Kropacek
2b9ab99411
Merge branch 'it4i-karolina' 2022-06-24 12:26:33 +02:00
Jakub Kropacek
d2c3ba0be3 modified: d/DFTB+/DFTB+-22.1-intel-2020b.eb 2022-06-24 12:26:14 +02:00
Jakub Kropacek
d113176f30 modified: b/BAGEL/BAGEL-1.2.2-intel-2021b.eb 
new file:   d/DFTB+/DFTB+-21.1-intel-2021a.eb
	new file:   d/DFTB+/DFTB+-22.1-intel-2020b-ARPACK.eb
	modified:   d/DFTB+/DFTB+-22.1-intel-2020b.eb
	new file:   e/ELSI/ELSI-2.6.4-intel-2020b.eb
 2022-06-24 12:25:55 +02:00
Jakub Kropacek
d744817af3
Merge branch 'it4i-barbora' 2022-06-22 09:48:17 +02:00
Jakub Kropacek
628d7458e9 modified: t/tblite/tblite-0.2.1-intel-2020b.eb 2022-06-22 09:48:03 +02:00
Jakub Kropacek
496701bb33
Merge branch 'it4i-barbora' 2022-06-22 09:43:33 +02:00
Jakub Kropacek
e09b0fb207
Merge branch 'it4i-karolina' 2022-06-22 09:43:26 +02:00
Jakub Kropacek
a4dfbf4d66 modified: q/QtiPlot/qtiplot-1.0.0.eb 2022-06-22 09:43:07 +02:00
Jakub Kropacek
e4fe702e16 new file: b/BAGEL/BAGEL-1.2.2-intel-2021b.eb 
new file:   d/DFTB+/DFTB+-22.1-intel-2020b.eb
	new file:   t/tblite/tblite-0.2.1-intel-2020b.eb
	modified:   v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential.eb
	new file:   v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential.eb
	deleted:    v/VASP/VASP-6.3.1-intel-2021b-test.eb
 2022-06-22 09:42:56 +02:00
Jakub Kropacek
35e569311c
Merge branch 'it4i-barbora' 2022-06-17 18:40:56 +02:00
Jakub Kropacek
cb596b4ebf
Merge branch 'it4i-karolina' 2022-06-17 18:40:50 +02:00
Jakub Kropacek
b877a9113c modified: h/HDF5/HDF5-1.12.1-intel-2021b-parallel.eb 2022-06-17 18:40:35 +02:00
Jakub Kropacek
3a60ae06a8 modified: v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential.eb 
new file:   v/VASP/VASP-6.3.1-intel-2021b-cluster-independent.patch
	new file:   v/VASP/VASP-6.3.1-intel-2021b-test.eb
	deleted:    v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential-HDF5-Wannier.eb
 2022-06-17 18:40:26 +02:00
Jakub Kropacek
d0250f27a4
Merge branch 'it4i-barbora' 2022-06-17 11:28:05 +02:00
Jakub Kropacek
46ce1aacce
Merge branch 'it4i-karolina' 2022-06-17 11:27:58 +02:00
Jakub Kropacek
903b3859df modified: p/PETSc/PETSc-3.17.2-foss-2021a.eb 2022-06-17 11:27:43 +02:00
Jakub Kropacek
b8b80c70ed new file: v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential-HDF5-Wannier.eb 
new file:   w/Wannier90/Wannier90-3.1.0-intel-2021b-serial.eb
 2022-06-17 11:27:32 +02:00
Jakub Kropacek
77f04373e3
Merge branch 'it4i-karolina' 2022-06-16 09:13:33 +02:00
Jakub Kropacek
0ca068a449 new file: m/Molpro/Molpro-mpp-2022.2.2.linux_x86_64_mpipr.eb 
new file:   m/Molpro/Molpro-mpp-2022.2.2.linux_x86_64_sockets.eb
	modified:   v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb
	deleted:    v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb.bak_20220616084146_64543
 2022-06-16 09:13:06 +02:00
Lukas Krupcik
82de43f39d Merge branch 'it4i-karolina' 2022-06-16 08:44:55 +02:00
Lukas Krupcik
ecd65d2a4b new file: v/VASP/VASP-5.4.4-VTST-fix.patch 
new file:   v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb
	new file:   v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb.bak_20220616084146_64543
	new file:   v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-vtst-karolina.eb
	deleted:    v/VASP/VASP-6.3.1-intel-2020b-mkl=sequential-vtst-karolina.eb
 2022-06-16 08:44:31 +02:00
Lukas Krupcik
e17e98390d Merge branch 'it4i-barbora' 2022-06-13 13:03:02 +02:00
Lukas Krupcik
de9de00f6d deleted: n/netCDF/test 
deleted:    "x/XCrySDen/\\"
 2022-06-13 13:02:49 +02:00