#%Module1.0
set bsoft /apps/bsoft
setenv BSOFT $bsoft
setenv BPARAM $bsoft/parameters/
prepend-path PATH $bsoft/bin
prepend-path LD_LIBRARY_PATH $bsoft/lib
#%Module1.0
#
puts stdout "source /apps/local/bin/ccp4-mkdir;"
#
set ccp4_master /apps
set ccp4 $ccp4_master/ccp4-8.0
set warp $ccp4_master/arp_warp_8.0
#
setenv CCP4_MASTER $ccp4_master
setenv CCP4 $ccp4
setenv CBIN $ccp4/bin
setenv CLIB $ccp4/lib
setenv CLIBD $ccp4/lib/data
setenv CINCL $ccp4/include
setenv CETC $ccp4/etc
setenv CHTML $ccp4/html
setenv CEXAM $ccp4/examples
setenv CCP4I_TCLTK $ccp4/bin
setenv CCP4_HELPDIR $ccp4/help/
setenv CLIBD_MON $ccp4/lib/data/monomers/
setenv CCP4_OPEN UNKNOWN
setenv CCP4_SCR /tmp/$env(USER)
setenv CRANK $ccp4/share/ccp4i/crank
setenv CCP4I_TOP $ccp4/share/ccp4i
setenv warpbin $warp/bin/bin-x86_64-Linux
setenv warpdoc $warp/manual
setenv MMCIFDIC $ccp4/lib/ccp4/cif_mmdic.lib
setenv SSL_CERT_FILE $ccp4/etc/ssl/cacert.pem
setenv BALBES_ROOT $ccp4/BALBES
prepend-path PATH $warp/bin/bin-x86_64-Linux:$ccp4/etc:$ccp4/bin
prepend-path MANPATH $ccp4/share/man
setenv GFORTRAN_UNBUFFERED_PRECONNECTED Y
#%Module1.0
#
puts stdout "source /apps/local/bin/ccp4-mkdir;"
#
set ccp4_master /apps
set ccp4 $ccp4_master/ccp4-7.0
set warp $ccp4_master/arp_warp_8.0
#
setenv CCP4_MASTER $ccp4_master
setenv CCP4 $ccp4
setenv CBIN $ccp4/bin
setenv CLIB $ccp4/lib
setenv CLIBD $ccp4/lib/data
setenv CINCL $ccp4/include
setenv CETC $ccp4/etc
setenv CHTML $ccp4/html
setenv CEXAM $ccp4/examples
setenv CCP4I_TCLTK $ccp4/bin
setenv CCP4_HELPDIR $ccp4/help/
setenv CLIBD_MON $ccp4/lib/data/monomers/
setenv CCP4_OPEN UNKNOWN
setenv CCP4_SCR /tmp/$env(USER)
setenv CRANK $ccp4/share/ccp4i/crank
setenv CCP4I_TOP $ccp4/share/ccp4i
setenv warpbin $warp/bin/bin-x86_64-Linux
setenv warpdoc $warp/manual
setenv MMCIFDIC $ccp4/lib/ccp4/cif_mmdic.lib
setenv SSL_CERT_FILE $ccp4/etc/ssl/cacert.pem
prepend-path PATH $warp/bin/bin-x86_64-Linux:$ccp4/etc:$ccp4/bin
prepend-path MANPATH $ccp4/share/man
setenv GFORTRAN_UNBUFFERED_PRECONNECTED Y
#!/bin/bash
if [ ! -d /tmp/$USER ]; then
/bin/mkdir /tmp/$USER
fi
#あるいは
/bin/rm -rf /tmp/$USER
/bin/mkdir /tmp/$USER
#%Module1.0
module load ccp4/8.0
set ccpem /apps/ccpem-1.6.0
setenv CCPEM $ccpem
prepend-path PATH $ccpem/bin
prepend-path LD_LIBRARY_PATH $ccpem/lib/modeller/install/lib/x86_64-intel8
#%Module1.0
set-alias chimera /apps/chimera-1.15/bin/chimera
#%Module
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/cinderella
prepend-path PATH $root/bin
#%Module1.0
prepend-path PATH /apps/cistem-1.0.0-beta
#%Module1.0
#
set-alias coot /apps/coot-Linux-x86_64-scientific-linux-7.6-gtk2-python/bin/coot
# ccpemのcoot 0.9-preなら
# set-alias coot /apps/ccpem-1.5.0/bin/coot
#%Module -*- tcl -*-
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/cryodrgn
prepend-path PATH $root/bin
#%Module
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/cryolo
setenv CRYOLOPATH $root
prepend-path PATH $root/bin
#%Module1.0
set root /apps/pyenv/versions/anaconda3-2023.07-0/envs/deepEMhancer_env/
prepend-path PATH $root/bin
prepend-path LD_LIBRARY_PATH $root/lib
#%Module1.0
set-alias em2em /apps/EM2EM/guiEM2EM.AppImage
#%Module1.0
set EMAN2DIR /apps/pyenv/versions/anaconda3-2023.09-0/envs/eman2.99
setenv EMAN2DIR $EMAN2DIR
prepend-path PATH $EMAN2DIR/bin
prepend-path LD_LIBRARY_PATH $EMAN2DIR/lib
#%Module1.0
set EMAN2DIR /apps/eman2.91
setenv EMAN2DIR $EMAN2DIR
prepend-path PATH $EMAN2DIR/bin
prepend-path LD_LIBRARY_PATH $EMAN2DIR/lib
#%Module1.0
set EMAN2DIR /apps/eman2.31
setenv EMAN2DIR $EMAN2DIR
prepend-path PATH $EMAN2DIR/bin
#%Module1.0
set EMAN2DIR /apps/eman2.12
setenv EMAN2DIR $EMAN2DIR
prepend-path PATH $EMAN2DIR/bin:$EMAN2DIR/extlib/bin
prepend-path PYTHONPATH $EMAN2DIR/lib:$EMAN2DIR/bin
#%Module1.0
set EPU_group_AFIS /apps/EPU_group_AFIS
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/EPU_group_AFIS
prepend-path PATH $EPU_group_AFIS:$root/bin
#%Module1.0
set-alias Fiji /apps/Fiji.app/ImageJ-linux64
set-alias fiji /apps/Fiji.app/ImageJ-linux64
#%Module1.0
set-alias Gautomatch /apps/GCTF_Gautomatch_Cu10.1/Gautomatch_v0.56_sm30-75_cu10.1
set-alias gautomatch /apps/GCTF_Gautomatch_Cu10.1/Gautomatch_v0.56_sm30-75_cu10.1
#%Module1.0
set-alias Gctf /apps/GCTF_Gautomatch_Cu10.1/GCTF_v1.18_sm30-75_cu10.1
set-alias gctf /apps/GCTF_Gautomatch_Cu10.1/GCTF_v1.18_sm30-75_cu10.1
#%Module1.0
set imod /apps/IMOD
prepend-path PATH $imod/bin
prepend-path LD_LIBRARY_PATH $imod/lib
prepend-path MANPATH $imod/man
setenv IMOD_DIR $imod
setenv IMOD_QTLIBDIR $imod/qtlib
setenv IMOD_PLUGIN_DIR $imod/lib/imodplug
#setenv IMOD_JAVADIR /usr/lib/jvm/java-1.8.0-openjdk-1.8.0.191.b12-1.el7_6.x86_64/jre/bin/
setenv IMOD_JAVADIR /usr
setenv FOR_DISABLE_STACK_TRACE 1
setenv IMOD_CALIB_DIR $imod/autodoc
set-alias subm "submfg \!* &"
#%Module
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/janni
prepend-path PATH $root/bin
#%Module
set-alias MotionCor2 /apps/MotionCor2/MotionCor2_1.4.2_Cuda111-02-15-2020
set-alias motioncor2 /apps/MotionCor2/MotionCor2_1.4.2_Cuda111-02-15-2020
#%Module1.0
set phenix /apps/phenix-1.19.2-4158
setenv PHENIX $phenix
setenv PHENIX_VERSION 1.19.2-4158
prepend-path PATH $phenix/build/bin
#%Module1.0
set phenix /apps/phenix-1.21-5207
setenv PHENIX $phenix
setenv PHENIX_VERSION 1.21-5207
prepend-path PATH $phenix/build/bin
#%Module1.0
set PyEM /apps/PyEM/
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/PyEM
prepend-path PATH $PyEM:$root/bin
#%Module1.0
set pymol /apps/pymol
set-alias pymol $pymol/bin/pymol
#
#「freeglut ERROR: Internal error <FBConfig with necessary capabilities not found> in function fgOpenWindow」が表示されるなら
setenv LIBGL_ALWAYS_INDIRECT 1
#%Module -*- tcl -*-
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/PyTom
set PYTOM /apps/pytom
prepend-path PATH $PYTOM/bin:$root/bin
prepend-path LD_LIBRARY_PATH $PYTOM/external/lib
prepend-path PYTHONPATH $PYTOM
#%Module1.0
module load mpi/openmpi-x86_64
set RELION /apps/relion-5.0-beta-1
prepend-path PATH $RELION/bin
setenv RELION_CTFFIND_EXECUTABLE /apps/ctffind-4.1.14/ctffind
setenv RELION_MOTIONCOR2_EXECUTABLE /apps/MotionCor2/MotionCor2_1.6.4_Cuda121_Mar312023
setenv RELION_GCTF_EXECUTABLE /apps/GCTF_Gautomatch_Cu10.1/GCTF_v1.18_sm30-75_cu10.1
setenv RELION_RESMAP_EXECUTABLE /apps/ResMap/ResMap-1.1.4-linux64
setenv RELION_PDFVIEWER_EXECUTABLE evince
setenv RELION_MPIRUN "mpirun --mca mtl psm2 --mca btl ^ofi"
setenv RELION_EXTERNAL_RECONSTRUCT_EXECUTABLE /apps/SIDESPLITTER/sidesplitter_wrapper.sh
setenv SIDESPLITTER /apps/SIDESPLITTER/sidesplitter
#%Module1.0
module load mpi/openmpi-x86_64
set RELION /apps/relion-4.0.1
prepend-path PATH $RELION/bin
setenv RELION_CTFFIND_EXECUTABLE /apps/ctffind-4.1.14/ctffind
setenv RELION_MOTIONCOR2_EXECUTABLE /apps/MotionCor2/MotionCor2_1.6.4_Cuda121_Mar312023
setenv RELION_GCTF_EXECUTABLE /apps/GCTF_Gautomatch_Cu10.1/GCTF_v1.18_sm30-75_cu10.1
setenv RELION_RESMAP_EXECUTABLE /apps/ResMap/ResMap-1.1.4-linux64
setenv RELION_PDFVIEWER_EXECUTABLE evince
setenv RELION_TOPAZ_EXECUTABLE /apps/pyenv/versions/anaconda3-2023.09-0/envs/topaz/bin/topaz
setenv RELION_MPIRUN "mpirun --mca mtl psm2 --mca btl ^ofi"
setenv RELION_EXTERNAL_RECONSTRUCT_EXECUTABLE /apps/SIDESPLITTER/sidesplitter_wrapper.sh
setenv SIDESPLITTER /apps/SIDESPLITTER/sidesplitter
#%Module1.0
module load mpi
set RELION /apps/relion-3.1.2
prepend-path PATH $RELION/bin
setenv RELION_QSUB_COMMAND qsub
setenv RELION_MPIRUN mpirun
setenv RELION_QSUB_TEMPLATE $RELION/bin/qsub.sh
setenv RELION_QUEUE_NAME s3
setenv RELION_QUEUE_USE false
setenv RELION_QSUB_NRTHREADS 4
setenv RELION_THREAD_MAX 16
setenv RELION_QSUB_NRMPI 4
setenv RELION_MPI_MAX 32
setenv RELION_ERROR_LOCAL_MPI 32 #ローカルで32mpiより多く指定して計算するとエラー掲示
setenv RELION_SHELL csh # ctffindを外部コールに使用するSHELL
setenv RELION_EXTERNAL_RECONSTRUCT_EXECUTABLE relion_external_reconstruct
setenv RELION_CTFFIND_EXECUTABLE /apps/ctffind-4.1.14/bin/ctffind
setenv RELION_MOTIONCOR2_EXECUTABLE /apps/MotionCor2/MotionCor2_1.4.2_Cuda111-02-15-2020
setenv RELION_GCTF_EXECUTABLE /apps/GCTF_Gautomatch_Cu10.1/GCTF_v1.18_sm30-75_cu10.1
setenv RELION_RESMAP_EXECUTABLE /apps/ResMap/ResMap-1.1.4-linux64
setenv RELION_PDFVIEWER_EXECUTABLE evince
setenv RELION_SCRATCH_DIR \$TMPDIR # scratchの場所. pbsproのTMPDIRを使うなら
setenv RELION_EXTERNAL_RECONSTRUCT_EXECUTABLE /apps/SIDESPLITTER/sidesplitter_wrapper.sh
setenv SIDESPLITTER /apps/SIDESPLITTER/sidesplitter
#%Module1.0
set-alias ResMap /apps/ResMap/ResMap-1.1.4-linux64
set-alias resmap /apps/ResMap/ResMap-1.1.4-linux64
#%Module1.0
set-alias scipion3 /apps/scipion/scipion3
#%Module1.0
#
prepend-path PATH /apps/spring_v0-86-1661/bin
#%Module1.0
set root /apps/pyenv/versions/anaconda3-5.3.1/envs/topaz
prepend-path PATH $root/bin
#%Module1.0
prepend-path PATH /apps/xds
#%Module1.0
prepend-path PATH /apps/xds:/apps/xds/xdsme/bin/noarch:/apps/xtal
#%Module1.0
set cuda /usr/local/cuda-12.1
prepend-path PATH $cuda/bin
prepend-path LD_LIBRARY_PATH $cuda/lib64
prepend-path MANPATH $cuda/share/man
#%Module1.0
#
set icc /opt/intel/compilers_and_libraries/linux
set tbb $icc/tbb/lib/intel64/gcc4.7
set mpi $icc/mpi/intel64/libfabric/lib:$icc/mpi/intel64/lib/releas:$icc/mpi/intel64/lib
set mkl $icc/mkl/lib/intel64
#
setenv INTEL_LICENSE_FILE /opt/intel/licenses
#
setenv MKLROOT $icc/mkl
setenv TBBROOT $icc/tbb
setenv PSTLROOT $icc/pstl
setenv I_MPI_ROOT $icc/mpi
#
setenv FI_PROVIDER tcp
setenv FI_PROVIDER_PATH $icc/mpi/intel64/libfabric/lib/prov
setenv CPATH $icc/mkl/include:$icc/pstl/include:$icc/tbb/include
setenv NLSPATH $icc/lib/intel64/locale/%l_%t/%N:$icc/mkl/lib/intel64/locale/%l_%t/%N
prepend-path PATH $icc/bin/intel64:$icc/mpi/intel64/libfabric/bin:$icc/mpi/intel64/bin
prepend-path LIBRARY_PATH $icc/lib/intel64:$mpi:$mkl:$tbb
prepend-path LD_LIBRARY_PATH $icc/lib/intel64:$mpi:$mkl:$tbb
prepend-path MANPATH /opt/intel/man/common:$icc/mpi/man
prepend-path CLASSPATH $icc/mpi/intel64/lib/mpi.jar
prepend-path PKG_CONFIG_PATH $icc/mkl/bin/pkgconfig
#%Module1.0
#
set icc /opt/intel/psxe_runtime_2019.4.243/linux
set tbb $icc/tbb/lib/intel64/gcc4.7
set mpi $icc/mpi/intel64/libfabric/lib:$icc/mpi/intel64/lib/release:$icc/mpi/intel64/lib
set mkl $icc/mkl/lib/intel64
set cmp $icc/compiler/lib/intel64_lin
#
setenv I_MPI_ROOT $icc/mpi
setenv FI_PROVIDER tcp
setenv FI_PROVIDER_PATH $icc/mpi/intel64/libfabric/lib/prov
#
prepend-path PATH $icc/mpi/intel64/libfabric/bin:$icc/mpi/intel64/bin
prepend-path LIBRARY_PATH $icc/mpi/intel64/libfabric/lib
prepend-path LD_LIBRARY_PATH $mpi:$mkl:$cmp:$tbb
prepend-path MANPATH $icc/mpi/man
prepend-path CLASSPATH $icc/mpi/intel64/lib/mpi.jar
#%Module1.0
#
set icc /opt/intel/compilers_and_libraries_2020.2.254/linux
#
setenv INTEL_LICENSE_FILE $icc/licenses:/opt/intel/licenses
#
setenv MKLROOT $icc/mkl
setenv TBBROOT $icc/tbb
#
setenv CPATH $icc/mkl/include:$icc/tbb/include
setenv NLSPATH $icc/compiler/lib/intel64/locale/%l_%t/%N:$icc/mkl/lib/intel64_lin/locale/%l_%t/%N
setenv LIBRARY_PATH $icc/compiler/lib/intel64_lin:$icc/mkl/lib/intel64_lin:$icc/tbb/lib/intel64/gcc4.8
#
prepend-path PATH $icc/bin/intel64:$icc/bin
prepend-path LD_LIBRARY_PATH $icc/compiler/lib/intel64_lin:$icc/mkl/lib/intel64_lin:$icc/tbb/lib/intel64/gcc4.8
prepend-path PKG_CONFIG_PATH $icc/mkl/bin/pkgconfig
#%Module1.0
#
set oneapi /opt/intel/oneapi
#
set icc $oneapi/compiler/2021.4.0
set icc-lib $icc/linux/lib
set icc-lib-ld $icc-lib:$icc-lib/x64:$icc-lib/emu:$icc-lib/oclfpga/host/linux64/lib:$icc-lib/oclfpga/linux64/lib:$icc/linux/compiler/lib/intel64_lin
set icc-bin $icc/linux/lib/oclfpga/llvm/aocl-bin:$icc/linux/lib/oclfpga/bin:$icc/linux/bin/intel64:$icc/linux/bin
set tbb $oneapi/tbb/2021.4.0
set mkl $oneapi/mkl/2021.4.0
set debugger $oneapi/debugger/10.2.4
set debugger-lib $debugger/gdb/intel64/lib:$debugger/libipt/intel64/lib:$debugger/dep/lib
set dev-utilities $oneapi/dev-utilities/2021.4.0
#####################################################
setenv ONEAPI_ROOT $oneapi
setenv TBBROOT $tbb
setenv CMPLR_ROOT $icc
setenv MKLROOT $mkl
setenv INTELFPGAOCLSDKROOT $icc-lib/oclfpga
setenv INTEL_PYTHONHOME $debugger/10.2.4/dep
setenv GDB_INFO $debugger/documentation/info/
setenv INFOPATH $debugger/gdb/intel64/lib
setenv CMAKE_PREFIX_PATH $tbb
setenv SETVARS_VARS_PATH $tbb/env/vars.sh
setenv OCL_ICD_FILENAMES libintelocl_emu.so:libalteracl.so:$icc-lib/x64/libintelocl.so
setenv FPGA_VARS_DIR $icc-lib/oclfpga
#####################################################
prepend-path MANPATH $debugger/documentation/en/man/common:$debugger
prepend-path LIBRARY_PATH $tbb/lib/intel64/gcc4.8:$mkl/lib/intel64:$icc/linux/compiler/lib/intel64_lin:$icc-lib
prepend-path LD_LIBRARY_PATH $tbb/lib/intel64/gcc4.8:$mkl/lib/intel64:$debugger-lib:$icc-lib-ld
prepend-path CPATH $tbb/include:$mkl/include:$dev-utilities/include:$icc/linux/include
prepend-path NLSPATH $mkl/lib/intel64/locale/%l_%t/%N
prepend-path PATH $mkl/bin/intel64:$dev-utilities/bin:$debugger/gdb/intel64/bin:$icc-bin