diff --git a/.modules.kuba/ase/.version b/.modules.kuba/ase/.version deleted file mode 100644 index e69de29..0000000 diff --git a/.modules.kuba/ase/Vera/dev.lua b/.modules.kuba/ase/Vera/dev.lua deleted file mode 100644 index 2e7ef66..0000000 --- a/.modules.kuba/ase/Vera/dev.lua +++ /dev/null @@ -1,27 +0,0 @@ -whatis("Ase") - -conflict("ASE") - -function ld (m) - if not ( isloaded(m) ) then - load(m) - end -end - -ld("iccifort/2019.5.281") -ld("impi/2018.5.288") -ld("imkl/2019.5.281") -ld("Python/3.7.4") -ld("Tkinter/3.7.4") -ld("matplotlib/3.1.1-Python-3.7.4") - -ld("clusterappl") -- Sets up MYNOBACKUP - -local nobackup = os.getenv("MYNOBACKUP") -local root = pathJoin(nobackup, "git/ase/dev") - -prepend_path("PYTHONPATH", root) -prepend_path("PATH", pathJoin(root, "tools")) -prepend_path("PATH", pathJoin(root, "bin")) - -execute {cmd='complete -o default -C "/usr/bin/python3 ' .. root .. '/ase/cli/complete.py" ase', modeA={"load"}} diff --git a/.modules.kuba/gpaw-setups/0.9.20000.lua b/.modules.kuba/gpaw-setups/0.9.20000.lua deleted file mode 100644 index 10db739..0000000 --- a/.modules.kuba/gpaw-setups/0.9.20000.lua +++ /dev/null @@ -1,7 +0,0 @@ -local name = myModuleName() -local version = myModuleVersion() -local home = os.getenv("HOME") -local setups_root = pathJoin(home, "gpaw-setups", version) - -prepend_path("GPAW_SETUP_PATH", pathJoin(setups_root, "gpaw-setups-" .. version)) -prepend_path("GPAW_SETUP_PATH", pathJoin(setups_root, "gpaw-basis-pvalence-" .. version)) diff --git a/.modules.kuba/gpaw/.version b/.modules.kuba/gpaw/.version deleted file mode 100644 index e69de29..0000000 diff --git a/.modules.kuba/gpaw/Tetralith/20.1.0.lua b/.modules.kuba/gpaw/Tetralith/20.1.0.lua deleted file mode 100644 index d3ec0b0..0000000 --- a/.modules.kuba/gpaw/Tetralith/20.1.0.lua +++ /dev/null @@ -1,26 +0,0 @@ -whatis([==[My compiled version of GPAW]==]) - -unload("GPAW") - -function ld (m) - if not ( isloaded(m) ) then - load(m) - end -end - -ld("clusterappl") - -local nobackup = os.getenv("MYNOBACKUP") -local root = pathJoin(nobackup, "git/gpaw/20.1.0") - -ld("Python/3.6.7-env-nsc1-gcc-2018a-eb") --- ld("Python/3.6.3-anaconda-5.0.1-nsc1") -ld("ASE/3.18.0-nsc1") - -ld("gpaw-setups/0.9.20000") - -setenv("OMP_NUM_THREADS", 1) -prepend_path("PATH", pathJoin(root, "tools")) -prepend_path("PYTHONPATH", root) -prepend_path("PYTHONPATH", pathJoin(root, "build/lib.linux-x86_64-3.7")) -execute {cmd='complete -o default -C "/usr/bin/python3 ' .. root .. '/gpaw/cli/complete.py" gpaw', modeA={"load"}} diff --git a/.modules.kuba/gpaw/Vera/20.1.0.lua b/.modules.kuba/gpaw/Vera/20.1.0.lua deleted file mode 120000 index ab0f534..0000000 --- a/.modules.kuba/gpaw/Vera/20.1.0.lua +++ /dev/null @@ -1 +0,0 @@ -dev.lua \ No newline at end of file diff --git a/.modules.kuba/gpaw/Vera/dev.lua b/.modules.kuba/gpaw/Vera/dev.lua deleted file mode 100644 index 93e0b8f..0000000 --- a/.modules.kuba/gpaw/Vera/dev.lua +++ /dev/null @@ -1,23 +0,0 @@ -whatis([==[My compiled version of GPAW]==]) - -unload("GPAW") - -function ld (m) - if not ( isloaded(m) ) then - load(m) - end -end - -ld("ase/dev") -ld("libxc/4.3.4") -ld("gpaw-setups/0.9.20000") - -local _, version = splitFileName(myModuleVersion()) -local nobackup = os.getenv("MYNOBACKUP") -local root = pathJoin(nobackup, "git/gpaw", version) - -setenv("OMP_NUM_THREADS", 1) -prepend_path("PATH", pathJoin(root, "tools")) -prepend_path("PYTHONPATH", root) -prepend_path("PYTHONPATH", pathJoin(root, "build/lib.linux-x86_64-3.7")) -execute {cmd='complete -o default -C "/usr/bin/python3 ' .. root .. '/gpaw/cli/complete.py" gpaw', modeA={"load"}} diff --git a/.modules.kuba/gpaw/Vera/jfojt.lua b/.modules.kuba/gpaw/Vera/jfojt.lua deleted file mode 120000 index ab0f534..0000000 --- a/.modules.kuba/gpaw/Vera/jfojt.lua +++ /dev/null @@ -1 +0,0 @@ -dev.lua \ No newline at end of file