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Merge pull request #197 from SouthernMethodistUniversity/fix_module_p…
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…erms_for_ad

Fix module perms for ad
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jrlagrone authored Aug 8, 2024
2 parents f7f20d6 + c8364ee commit cf5ff3e
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Showing 9 changed files with 85 additions and 136 deletions.
23 changes: 15 additions & 8 deletions modules/m3/applications/crystal/23/1.0.1-1.lua
Original file line number Diff line number Diff line change
@@ -1,11 +1,18 @@
whatis("CRYSTAL 23 v1.0.1: Must be member of crystal group. Request access at via [email protected] with HPC in the subject line.")
local groups = capture("groups")
if string.match(groups, "crystal") == nil then
LmodError("\n\nUse of CRYSTAL requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n")
else
family("crystal")
conflict("crystal")
load("gcc/11.2.0", "openmpi/4.1.6")
prepend_path("PATH","/hpc/m3/apps/crystal/23_1")

local err_message="To use this module you must be in a particular group\n" ..
"Please contact [email protected] with HPC in the subject to join crystal group\n"

local found = required_group("crystal")
local found_new = required_group("hpc-crystal")

if (not found and not found_new) then
LmodError(err_message)
end

family("crystal")
conflict("crystal")
load("gcc/11.2.0", "openmpi/4.1.6")
prepend_path("PATH","/hpc/m3/apps/crystal/23_1")


23 changes: 14 additions & 9 deletions modules/m3/applications/crystal/23/1.0.1.lua
Original file line number Diff line number Diff line change
@@ -1,12 +1,17 @@
whatis("CRYSTAL 23 v1.0.1: Must be member of crystal group. Request access at via [email protected] with HPC in the subject line.")
local groups = capture("groups")
if string.match(groups, "crystal") == nil then
LmodError("\n\nUse of CRYSTAL requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n")
else
family("crystal")
conflict("crystal")
load("gcc", "openmpi")
append_path("LD_LIBRARY_PATH", "/hpc/m3/apps/intel/oneapi/2023.1/compiler/2023.1.0/linux/compiler/lib/intel64_lin")
prepend_path("PATH","/hpc/m3/apps/crystal/23/v1.0.1")

local err_message="To use this module you must be in a particular group\n" ..
"Please contact [email protected] with HPC in the subject to join crystal group\n"

local found = required_group("crystal")
local found_new = required_group("hpc-crystal")

if (not found and not found_new) then
LmodError(err_message)
end

family("crystal")
conflict("crystal")
load("gcc", "openmpi")
append_path("LD_LIBRARY_PATH", "/hpc/m3/apps/intel/oneapi/2023.1/compiler/2023.1.0/linux/compiler/lib/intel64_lin")
prepend_path("PATH","/hpc/m3/apps/crystal/23/v1.0.1")
7 changes: 4 additions & 3 deletions modules/m3/applications/gaussian/g09d.lua
Original file line number Diff line number Diff line change
@@ -1,11 +1,12 @@
whatis("Gaussian 09 D: Must be member of gaussian group. Request access at smuhpc-admins@smu.edu.")
whatis("Gaussian 09 D: Must be member of gaussian group. Request access at help@smu.edu.")

local err_message="To use this module you must be in a particular group\n" ..
"Please contact smuhpc-admins@smu.edu to join gaussian group\n"
"Please contact help@smu.edu with HPC in the subject to join gaussian group\n"

local found = required_group("gaussian")
local found_new = required_group("hpc-gaussian")

if (not found) then
if (not found and not found_new) then
LmodError(err_message)
end

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7 changes: 4 additions & 3 deletions modules/m3/applications/gaussian/g16c/haswell.lua
Original file line number Diff line number Diff line change
@@ -1,11 +1,12 @@
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at smuhpc-admins@smu.edu.")
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at help@smu.edu.")

local err_message="To use this module you must be in a particular group\n" ..
"Please contact smuhpc-admins@smu.edu to join gaussian group\n"
"Please contact help@smu.edu with HPC in the subject to join gaussian group\n"

local found = required_group("gaussian")
local found_new = required_group("hpc-gaussian")

if (not found) then
if (not found and not found_new) then
LmodError(err_message)
end

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15 changes: 11 additions & 4 deletions modules/m3/applications/gaussian/g16c/zen3.lua
Original file line number Diff line number Diff line change
@@ -1,8 +1,15 @@
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].")
local groups = capture("groups")
if string.match(groups, "gaussian") == nil then
LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n")
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].")

local err_message="To use this module you must be in a particular group\n" ..
"Please contact [email protected] with HPC in the subject to join gaussian group\n"

local found = required_group("gaussian")
local found_new = required_group("hpc-gaussian")

if (not found and not found_new) then
LmodError(err_message)
end

family("gaussian")
load("nvidia/23.5")
local g16root = "/hpc/m3/apps/gaussian/g16c02_zen3"
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12 changes: 9 additions & 3 deletions modules/m3/applications/gaussview/6.0.16.lua
Original file line number Diff line number Diff line change
@@ -1,8 +1,14 @@
whatis("GaussView")
local groups = capture("groups")
if string.match(groups, "gaussian") == nil then
LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n")
local err_message="To use this module you must be in a particular group\n" ..
"Please contact [email protected] with HPC in the subject to join gaussian group\n"

local found = required_group("gaussian")
local found_new = required_group("hpc-gaussian")

if (not found and not found_new) then
LmodError(err_message)
end

family("gaussview")
LmodWarning("GaussView can only be used from an HPC Portal remote desktop session.")
prepend_path("PATH","/hpc/m3/apps/gaussian/gv")
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92 changes: 0 additions & 92 deletions modules/m3/applications/tcad/2022.lua

This file was deleted.

27 changes: 17 additions & 10 deletions modules/m3/applications/vasp/5.4.4.lua
Original file line number Diff line number Diff line change
@@ -1,13 +1,20 @@
whatis("VASP 5.4.4: Must be member of vasp group. Request access at via [email protected] with HPC in the subject line.")
local groups = capture("groups")
if string.match(groups, "vasp") == nil then
LmodError("\n\nUse of VASP requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n")
else
family("vasp")
conflict("vasp")
load("gcc/11.2.0", "openmpi/4.1.4-7al4h2x",
"netlib-scalapack/2.2.0-k6ikp5r", "fftw/3.3.10-gz7qiki",
"openblas/0.3.21-s5husbk")
prepend_path("PATH","/hpc/m3/apps/vasp/vasp.5.4.4/bin")

local err_message="To use this module you must be in a particular group\n" ..
"Please contact [email protected] with HPC in the subject to join vasp group\n"

local found = required_group("vasp")
local found_new = required_group("hpc-vasp")

if (not found and not found_new) then
LmodError(err_message)
end

family("vasp")
conflict("vasp")
load("gcc/11.2.0", "openmpi/4.1.4-7al4h2x",
"netlib-scalapack/2.2.0-k6ikp5r", "fftw/3.3.10-gz7qiki",
"openblas/0.3.21-s5husbk")
prepend_path("PATH","/hpc/m3/apps/vasp/vasp.5.4.4/bin")


15 changes: 11 additions & 4 deletions modules/mp/apps/gaussian/g16c02.lua
Original file line number Diff line number Diff line change
@@ -1,8 +1,15 @@
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].")
local groups = capture("groups")
if string.match(groups, "gaussian") == nil then
LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via [email protected] with HPC in the subject line.\n")
whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at [email protected].")

local err_message="To use this module you must be in a particular group\n" ..
"Please contact [email protected] with HPC in the subject to join gaussian group\n"

local found = required_group("gaussian")
local found_new = required_group("hpc-gaussian")

if (not found and not found_new) then
LmodError(err_message)
end

family("gaussian")
load("nvidia/nvhpc/23.7")
setenv("g16root", "/hpc/mp/apps/gaussian/g16c02")
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