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Lukas Krupcik
ce632b3121 Merge branch 'it4i-karolina' 2022-05-18 10:34:33 +02:00
Lukas Krupcik
b8c1aa2f8f new file: a/ANSYS/ANSYS-19.5-intel-2020b-alamerini.eb 
new file:   p/PyTorch/PyTorch-1.11.0-fosscuda-2020b.eb
 2022-05-18 10:33:50 +02:00
Jakub Kropacek
95aae5ad97 Merge branch 'it4i-barbora' 2022-05-13 14:28:01 +02:00
Jakub Kropacek
4c5081ad5e Merge branch 'it4i-karolina' 2022-05-13 14:28:01 +02:00
Jakub Kropacek
af3e8a8add modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb 
modified:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
 2022-05-13 14:27:46 +02:00
Jakub Kropacek
34e002296b new file: o/OpenSSL/OpenSSL-1.1-test.eb 
new file:   q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5-complex.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-complex.eb
 2022-05-13 14:27:36 +02:00
Jakub Kropacek
c3fe962cb3 Merge branch 'it4i-karolina' 2022-05-12 13:17:26 +02:00
Jakub Kropacek
dd1c2bd97b modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb 
modified:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
	deleted:    q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb
 2022-05-12 13:17:01 +02:00
Jakub Kropacek
545d9b5fda Merge branch 'it4i-karolina' 2022-05-12 12:51:06 +02:00
Jakub Kropacek
b19d614747 modified: q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb 
new file:   x/XALT/XALT-2.10.37.eb
	deleted:    x/XALT/XALT-2.10.36.eb
 2022-05-12 12:50:35 +02:00
Lukas Krupcik
ad169450da Merge branch 'it4i-barbora' 2022-05-09 08:41:29 +02:00
Lukas Krupcik
9e013fcaa7 new file: x/XALT/XALT-2.10.36.eb 2022-05-09 08:41:02 +02:00
Jakub Kropacek
e75cc1a2d5 Merge branch 'it4i-karolina' 2022-05-05 20:41:33 +02:00
Jakub Kropacek
b33d8a7f34 modified: g/GROMACS/GROMACS-2022-fosscuda-2020b.eb 2022-05-05 20:39:38 +02:00
Lukas Krupcik
da1ca8b685 Merge branch 'it4i-barbora' 2022-05-05 11:23:08 +02:00
Lukas Krupcik
182459da35 deleted: "a/ANSYS/\\" 
deleted:    a/Anaconda2/Anaconda2-4.4.0.eb
	deleted:    a/Anaconda3/Anaconda3-2019.10.eb
	deleted:    a/Anaconda3/Anaconda3-4.4.0.eb
	deleted:    a/Anaconda3/Anaconda3-5.3.1.eb
	deleted:    a/Autotools/Autotools-20150215-GCC-6.3.0-2.27.eb
	deleted:    a/Autotools/Autotools-20170619.eb
	deleted:    a/Autotools/Autotools-20180311.eb
 2022-05-05 11:22:37 +02:00
Lukas Krupcik
4fde964c35 Merge branch 'it4i-barbora' 2022-05-05 10:21:19 +02:00
Lukas Krupcik
35b9472c34 Merge branch 'it4i-karolina' 2022-05-05 10:21:19 +02:00
Lukas Krupcik
1300df4a07 modified: a/ANSYS/ANSYS-21.2-intel-2020b.eb 
new file:   "a/ANSYS/\\"
	new file:   e/Extrae/Extrae-3.8.3-gompi-2021a.eb
	new file:   l/libnsl/libnsl-1.3.0-GCCcore-10.2.0.eb
	new file:   l/libtirpc/libtirpc-1.3.2-GCCcore-10.2.0.eb
	modified:   p/Paraver/Paraver-4.10.0-foss-2021a.eb
	new file:   s/SDE/SDE-9.0.0.eb
	new file:   v/Vampir/Vampir-10.0.2.eb
 2022-05-05 10:20:42 +02:00
Lukas Krupcik
cbd3329146 modified: d/Dakota/Dakota-6.15.0-foss-2021b.eb 
modified:   d/Dakota/Dakota-6.15.0-intel-2021b.eb
	new file:   e/Extrae/Extrae-3.8.3-gompi-2021a.eb
	new file:   f/FoX/FoX-4.1.2-intel-2020b.eb
	new file:   g/GROMACS/GROMACS-2022-fosscuda-2020b.eb
	new file:   h/HDF5/HDF5-1.10.7-gompi-2021a.eb
	new file:   l/libxc/libxc-5.1.3-intel-2020b.eb
	new file:   p/PLUMED/PLUMED-2.8.0-fosscuda-2020b.eb
	modified:   p/Paraver/Paraver-4.10.0-foss-2021a.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-intel-2020b-forQMCPACK.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-intel-2020b-test.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-intel-2020b-forQMCPACK-fix-UtilXlib-Makefile-tab.patch
	new file:   s/SDE/SDE-9.0.0.eb
 2022-05-05 10:20:31 +02:00
Lukas Krupcik
9bee860b2e Merge branch 'it4i-dgx' 2022-04-19 09:07:25 +02:00
Lukas Krupcik
990b36e2d7 Merge branch 'it4i-barbora' 2022-04-19 09:07:25 +02:00
Lukas Krupcik
97e9159d20 Merge branch 'it4i-karolina' 2022-04-19 09:07:25 +02:00
Lukas Krupcik
f74b020df1 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-dgx 2022-04-19 09:06:46 +02:00
Lukas Krupcik
551ac64700 deleted: p/PhaseLink/PhaseLink-20210503.tar.gz 2022-04-19 09:06:46 +02:00
Lukas Krupcik
2572e96e21 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-barbora 2022-04-19 09:06:41 +02:00
Lukas Krupcik
f04fd486ab deleted: p/PhaseLink/PhaseLink-20210503.tar.gz 2022-04-19 09:06:41 +02:00
Lukas Krupcik
18df2702b4 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2022-04-19 09:06:35 +02:00
Lukas Krupcik
e26fdf35ba deleted: p/PhaseLink/PhaseLink-20210503.tar.gz 2022-04-19 09:06:35 +02:00
Jakub Kropáček
247601548d Delete PhaseLink-20210503.tar.gz 2022-04-19 09:03:44 +02:00
Lukas Krupcik
66c687377a Merge branch 'it4i-dgx' 2022-04-19 08:59:26 +02:00
Lukas Krupcik
8b8a2d473a Merge branch 'it4i-barbora' 2022-04-19 08:59:26 +02:00
Lukas Krupcik
dbd60d9109 Merge branch 'it4i-karolina' 2022-04-19 08:59:26 +02:00
Lukas Krupcik
dd7a5fdd46 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-dgx 2022-04-19 08:58:45 +02:00
Lukas Krupcik
8a505e70df deleted: m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz 
deleted:    p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
	deleted:    q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
 2022-04-19 08:58:45 +02:00
Lukas Krupcik
da1a29261e Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-barbora 2022-04-19 08:58:39 +02:00
Lukas Krupcik
442fbf1043 deleted: m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz 
deleted:    p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
	deleted:    q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
 2022-04-19 08:58:37 +02:00
Lukas Krupcik
b0e805617a Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2022-04-19 08:58:27 +02:00
Lukas Krupcik
c21fe476a4 new file: p/PhaseLink/PhaseLink-20210503-fix-python-bin.patch 
new file:   p/PhaseLink/PhaseLink-20210503-fosscuda-2020b.eb
	new file:   p/PhaseLink/PhaseLink-20210503.tar.gz
	deleted:    m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz
	deleted:    p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
	deleted:    q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
 2022-04-19 08:58:27 +02:00
Jakub Kropáček
1428b5d13b Delete QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old 2022-04-19 08:55:08 +02:00
Jakub Kropáček
aac891c4c9 Delete QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken 2022-04-19 08:55:00 +02:00
Jakub Kropáček
0e9ec7baf3 Delete QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old 2022-04-19 08:54:43 +02:00
Jakub Kropáček
38024ee606 Delete mpi4pyscf-0.3.1.tar.gz 2022-04-19 08:54:27 +02:00
Jakub Kropáček
7183d127f5 Delete PySCF-2.0.1-intel-2020b.eb.broken 2022-04-19 08:54:01 +02:00
Lukas Krupcik
732d939a3f Merge branch 'it4i-barbora' 2022-04-14 15:21:29 +02:00
Lukas Krupcik
4d9d450c5b Merge branch 'it4i-karolina' 2022-04-14 15:21:29 +02:00
Lukas Krupcik
626f262df7 modified: g/grace/grace-5.1.25-intel-2020b.eb 
new file:   i/impi/impi-2021.4.0-intel-compilers-2021.4.0.eb
	new file:   m/mpi4py/mpi4py-3.1.3-foss-2021a-Python-3.9.5.eb
	new file:   m/mpi4pyscf/mpi4pyscf-0.3.1-foss-2021a-Python-3.9.5.eb
	new file:   m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz
	new file:   p/Paraver/Paraver-4.10.0-foss-2021a.eb
	new file:   p/PySCF/PySCF-2.0.1-foss-2021a.eb
	modified:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-intel-2021a.eb
	modified:   r/R/R-4.1.0-foss-2021a.eb
	new file:   v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential.eb
 2022-04-14 15:20:43 +02:00
Lukas Krupcik
46ede8169c new file: a/apex/apex-20210420-fosscuda-2020b.eb 
new file:   g/git-lfs/git-lfs-3.1.2.eb
	new file:   h/h5py/h5py-3.2.1-intel-2021a.eb
	new file:   l/libcint/libcint-4.4.0-intel-2020b.eb
	new file:   m/mpi4py/mpi4py-3.1.3-foss-2020b-Python-3.8.6.eb
	new file:   m/mpi4py/mpi4py-3.1.3-foss-2021a-Python-3.9.5.eb
	new file:   m/mpi4pyscf/mpi4pyscf-0.3.1-foss-2021a-Python-3.9.5.eb
	new file:   m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz
	new file:   o/obspy/obspy-1.3.0-fosscuda-2020b.eb
	new file:   p/PROJ/PROJ-8.0.1-GCCcore-10.2.0.eb
	new file:   p/PillowSIMD/Pillow-SIMD-7.1.2-GCCcore-10.2.0.eb
	new file:   p/PySCF/PySCF-2.0.1-foss-2021a.eb
	new file:   p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
	new file:   p/pyproj/pyproj-3.0.1-GCCcore-10.2.0.eb
	new file:   q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
	new file:   q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
	modified:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QMCPACK/QMCPACK-3.13.0-intel-2021a-Python-3.9.5.eb
	new file:   s/scikit-learn/scikit-learn-0.23.2-fosscuda-2020b.eb
	new file:   t/TotalView/TotalView-2022.1.11.eb
	new file:   t/torchaudio/torchaudio-0.10.0-fosscuda-2020b-Python-3.8.6-PyTorch-1.10.0.eb
	new file:   t/torchvision/torchvision-0.11.3-fosscuda-2020b-PyTorch-1.10.0.eb
	new file:   v/VASP/VASP-6.3.0-VTST-fix.patch
	new file:   v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential-march=znver3-karolina.eb
	new file:   v/VASP/VASP-6.3.1-intel-2020b-mkl=sequential-vtst-karolina.eb
	deleted:    q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb
	deleted:    v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-march=znver3-karolina.eb
 2022-04-14 15:20:32 +02:00
Lukas Krupcik
014a0e2a16 Merge branch 'it4i-barbora' 2022-03-30 11:28:00 +02:00
Lukas Krupcik
596b70dc18 Merge branch 'it4i-karolina' 2022-03-30 11:28:00 +02:00