From 129748fd8c4df299364bc8603544834062a21cfe Mon Sep 17 00:00:00 2001 From: Jakub Fojt Date: Mon, 17 Feb 2020 14:08:17 +0100 Subject: [PATCH] modules: Add jfojt and trossi gpaw modules Add gpaw-setups module --- .bashrc.kuba | 11 ++--------- .modules.kuba/gpaw-setups/0.9.20000.lua | 11 ++++++----- .modules.kuba/gpaw/jfojt.lua | 14 ++++++++++++++ .modules.kuba/gpaw/stable.lua | 11 ----------- .modules.kuba/gpaw/trossi.lua | 14 ++++++++++++++ 5 files changed, 36 insertions(+), 25 deletions(-) create mode 100644 .modules.kuba/gpaw/jfojt.lua delete mode 100644 .modules.kuba/gpaw/stable.lua create mode 100644 .modules.kuba/gpaw/trossi.lua diff --git a/.bashrc.kuba b/.bashrc.kuba index 1729b76..d6881cb 100755 --- a/.bashrc.kuba +++ b/.bashrc.kuba @@ -6,9 +6,7 @@ [[ $- != *i* ]] && return source_existing() { - if [ -f "$1" ]; then - source "$1" - fi + [ -f "$1" ] && source "$1" } alias ls='ls --color=auto' @@ -29,12 +27,7 @@ source_existing ~/.bash_prompt.kuba # Source lmod module setup source_existing /usr/share/lmod/lmod/init/profile -[ -x "$(command -v module)" ] && module use "$HOME/.modules.kuba/" - -if [ "$(hostname)" == "kubaDesktop" ] || [ "$(hostname)" == "kubaArch-Laptop" ]; then - GPAW_SETUP_BASE="/home/kuba/gpaw-setups/0.9.20000/" - export GPAW_SETUP_PATH="${GPAW_SETUP_BASE}gpaw-basis-pvalence-0.9.20000/:${GPAW_SETUP_BASE}gpaw-setups-0.9.20000/" -fi +[ -e /usr/share/lmod/lmod/init/profile ] && module use "$HOME/.modules.kuba/" if xhost >& /dev/null ; then # X is running diff --git a/.modules.kuba/gpaw-setups/0.9.20000.lua b/.modules.kuba/gpaw-setups/0.9.20000.lua index 9c13348..10db739 100644 --- a/.modules.kuba/gpaw-setups/0.9.20000.lua +++ b/.modules.kuba/gpaw-setups/0.9.20000.lua @@ -1,6 +1,7 @@ -local name = myModuleName() -local version = myModuleVersion() -local root = pathJoin("~/gpaw-setups", version) +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(root, "gpaw-setups-" .. version)) -prepend_path("GPAW_SETUP_PATH", pathJoin(root, "gpaw-basis-pvalence-" .. 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/jfojt.lua b/.modules.kuba/gpaw/jfojt.lua new file mode 100644 index 0000000..4beb740 --- /dev/null +++ b/.modules.kuba/gpaw/jfojt.lua @@ -0,0 +1,14 @@ +local name = myModuleName() +local version = myModuleVersion() +local platform = "linux-x86_64-ubuntu-3.6" +local home = os.getenv("HOME") +local gpaw_root = pathJoin(home, "git", version .. "-gpaw") + +load("gpaw-setups/0.9.20000") + +setenv("OMP_NUM_THREADS", 1) +prepend_path("PYTHONPATH", gpaw_root) +prepend_path("PYTHONPATH", pathJoin(gpaw_root, "build/lib." .. platform)) +prepend_path("PATH", pathJoin(gpaw_root, "tools")) +prepend_path("PATH", pathJoin(gpaw_root, "build/bin." .. platform)) +execute {cmd='complete -o default -C "/usr/bin/python3 ' .. gpaw_root .. '/gpaw/cli/complete.py" gpaw', modeA={"load"}} diff --git a/.modules.kuba/gpaw/stable.lua b/.modules.kuba/gpaw/stable.lua deleted file mode 100644 index a422e1a..0000000 --- a/.modules.kuba/gpaw/stable.lua +++ /dev/null @@ -1,11 +0,0 @@ -local name = myModuleName() -local version = myModuleVersion() -local platform = "linux-x86_64-ubuntu-3.6" -local root = "~/git/gpaw-trossi" - -setenv("OMP_NUM_THREADS", 1) -prepend_path("PYTHONPATH", root) -prepend_path("PYTHONPATH", pathJoin(root, "build/lib." .. platform)) -prepend_path("PATH", pathJoin(root, "tools")) -prepend_path("PATH", pathJoin(root, "build/bin." .. platform)) -execute {cmd='complete -o default -C "/usr/bin/python3' .. root .. '/gpaw/cli/complete.py" gpaw', modeA={"load"}} diff --git a/.modules.kuba/gpaw/trossi.lua b/.modules.kuba/gpaw/trossi.lua new file mode 100644 index 0000000..4beb740 --- /dev/null +++ b/.modules.kuba/gpaw/trossi.lua @@ -0,0 +1,14 @@ +local name = myModuleName() +local version = myModuleVersion() +local platform = "linux-x86_64-ubuntu-3.6" +local home = os.getenv("HOME") +local gpaw_root = pathJoin(home, "git", version .. "-gpaw") + +load("gpaw-setups/0.9.20000") + +setenv("OMP_NUM_THREADS", 1) +prepend_path("PYTHONPATH", gpaw_root) +prepend_path("PYTHONPATH", pathJoin(gpaw_root, "build/lib." .. platform)) +prepend_path("PATH", pathJoin(gpaw_root, "tools")) +prepend_path("PATH", pathJoin(gpaw_root, "build/bin." .. platform)) +execute {cmd='complete -o default -C "/usr/bin/python3 ' .. gpaw_root .. '/gpaw/cli/complete.py" gpaw', modeA={"load"}}