diff --git a/modules/m3/applications/crystal/23/1.0.1-1.lua b/modules/m3/applications/crystal/23/1.0.1-1.lua index 7aa8fde4..4e533d0a 100644 --- a/modules/m3/applications/crystal/23/1.0.1-1.lua +++ b/modules/m3/applications/crystal/23/1.0.1-1.lua @@ -1,11 +1,18 @@ whatis("CRYSTAL 23 v1.0.1: Must be member of crystal group. Request access at via help@smu.edu 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 help@smu.edu 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 help@smu.edu 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") + + diff --git a/modules/m3/applications/crystal/23/1.0.1.lua b/modules/m3/applications/crystal/23/1.0.1.lua index bdc2f25b..abb95273 100644 --- a/modules/m3/applications/crystal/23/1.0.1.lua +++ b/modules/m3/applications/crystal/23/1.0.1.lua @@ -1,12 +1,17 @@ whatis("CRYSTAL 23 v1.0.1: Must be member of crystal group. Request access at via help@smu.edu 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 help@smu.edu 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 help@smu.edu 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") diff --git a/modules/m3/applications/gaussian/g09d.lua b/modules/m3/applications/gaussian/g09d.lua index 29dc8b87..88131406 100644 --- a/modules/m3/applications/gaussian/g09d.lua +++ b/modules/m3/applications/gaussian/g09d.lua @@ -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 diff --git a/modules/m3/applications/gaussian/g16c/haswell.lua b/modules/m3/applications/gaussian/g16c/haswell.lua index 1f34fa70..2b1e55fe 100644 --- a/modules/m3/applications/gaussian/g16c/haswell.lua +++ b/modules/m3/applications/gaussian/g16c/haswell.lua @@ -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 diff --git a/modules/m3/applications/gaussian/g16c/zen3.lua b/modules/m3/applications/gaussian/g16c/zen3.lua index a1e55070..f7dbc052 100644 --- a/modules/m3/applications/gaussian/g16c/zen3.lua +++ b/modules/m3/applications/gaussian/g16c/zen3.lua @@ -1,8 +1,15 @@ -whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at smuhpc-admins@smu.edu.") -local groups = capture("groups") -if string.match(groups, "gaussian") == nil then - LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via help@smu.edu with HPC in the subject line.\n") +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 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 and not found_new) then + LmodError(err_message) end + family("gaussian") load("nvidia/23.5") local g16root = "/hpc/m3/apps/gaussian/g16c02_zen3" diff --git a/modules/m3/applications/gaussview/6.0.16.lua b/modules/m3/applications/gaussview/6.0.16.lua index e450268c..d31b4da8 100644 --- a/modules/m3/applications/gaussview/6.0.16.lua +++ b/modules/m3/applications/gaussview/6.0.16.lua @@ -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 help@smu.edu with HPC in the subject line.\n") +local err_message="To use this module you must be in a particular 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 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") diff --git a/modules/m3/applications/tcad/2022.lua b/modules/m3/applications/tcad/2022.lua deleted file mode 100644 index 29b15a09..00000000 --- a/modules/m3/applications/tcad/2022.lua +++ /dev/null @@ -1,92 +0,0 @@ -whatis("TCAD: Must be member of tcad group. Request access at smuhpc-admins@smu.edu.") -local groups = capture("groups") -if string.match(groups, "tcad") == nil then - LmodError("\n\nUse of TCAD requires permission.\nRequest permission via help@smu.edu with HPC in the subject line.\n") -end -family("tcad") - -local container_name=os.getenv("APPTAINER_CONTAINER") or "" - --- TCAD doesn't support Ubuntu, so this install currently only --- runs in the AlmaLinux remote desktop container. For users --- already on the remote desktop, there's no issue. However, we'll --- provide shell functions for users trying to run from a normal term. - -if (container_name == "") then - -- make shell functions that run inside a container - local container_path="/hpc/m3/containers/remote_desktop/almalinux_remote_desktop_1.0.0.sif" - setenv("APPTAINERENV_GALLIUM_DRIVER","softpipe") - - always_load('apptainer') - - function build_command(app) - local app_command = pathJoin("/hpc/m3/apps/tcad/2022/bin", app) - local cmd = 'apptainer exec ' .. container_path .. ' ' .. app_command - local sh_ending = ' "$@"' - local csh_ending = ' $*' - local sh_cmd = cmd .. sh_ending - local csh_cmd = cmd .. csh_ending - set_shell_function(app, sh_cmd, csh_cmd) - end - - build_command("acroreaddevedit3d") - build_command("maskviews") - build_command("sflm") - build_command("sman") - build_command("stopping3d") - build_command("victorydevice") - build_command("athena") - build_command("firebird") - build_command("mcdevice") - build_command("sflm_access") - build_command("smdb") - build_command("supdate") - build_command("victorym") - build_command("athena1d") - build_command("ghostprint") - build_command("mocasim") - build_command("sflm_monitord") - build_command("smovie") - build_command("sysname") - build_command("victorymesh") - build_command("atlas") - build_command("gunzip") - build_command("opticsdb") - build_command("s_gcc") - build_command("s_mpirun") - build_command("tonyplot") - build_command("victoryp") - build_command("dbinternal") - build_command("gzip") - build_command("radiant") - build_command("showid") - build_command("spayn") - build_command("tonyplot3d") - build_command("victoryrcx") - build_command("deckbuild") - build_command("implant3d") - build_command("rpc.sflmserverd") - build_command("silver") - build_command("spdfviewer") - build_command("victorya") - build_command("victorystress") - build_command("devedit") - build_command("iworkbench") - build_command("sedit") - build_command("sipc") - build_command("srdb") - build_command("victoryd") - build_command("victoryvisual") - -elseif string.find(container_name, "almalinux") then - - -- inside an almalinux container. Just set paths - prepend_path("LD_LIBRARY_PATH","/hpc/m3/apps/tcad/2022/lib") - prepend_path("PATH","/hpc/m3/apps/tcad/2022/bin") - setenv("GALLIUM_DRIVER", "softpipe") - -else - -LmodError("\n\nTCAD currently only runs in an AlmaLinux based container. If you are using the remote desktop you will need to start a new session using AlmaLinux 8\n") - -end diff --git a/modules/m3/applications/vasp/5.4.4.lua b/modules/m3/applications/vasp/5.4.4.lua index e52ce6c1..aa622a93 100644 --- a/modules/m3/applications/vasp/5.4.4.lua +++ b/modules/m3/applications/vasp/5.4.4.lua @@ -1,13 +1,20 @@ whatis("VASP 5.4.4: Must be member of vasp group. Request access at via help@smu.edu 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 help@smu.edu 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 help@smu.edu 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") + + diff --git a/modules/mp/apps/gaussian/g16c02.lua b/modules/mp/apps/gaussian/g16c02.lua index 6567b515..7bff925b 100644 --- a/modules/mp/apps/gaussian/g16c02.lua +++ b/modules/mp/apps/gaussian/g16c02.lua @@ -1,8 +1,15 @@ -whatis("Gaussian 16 C.02: Must be member of gaussian group. Request access at smuhpc-admins@smu.edu.") -local groups = capture("groups") -if string.match(groups, "gaussian") == nil then - LmodError("\n\nUse of Gaussian requires permission.\nRequest permission via help@smu.edu with HPC in the subject line.\n") +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 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 and not found_new) then + LmodError(err_message) end + family("gaussian") load("nvidia/nvhpc/23.7") setenv("g16root", "/hpc/mp/apps/gaussian/g16c02")