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[Guide][Linux] Running SiDock@home tasks for CmDock on anonymous platform
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Send message Joined: 8 Dec 20 Posts: 5 Credit: 1,036,175 RAC: 2,262 |
If your platform isn't supported by SiDock@home or you don't like precompiled binaries, you can use Anonymous platform. For Gentoo it's quite simple: # eselect repository enable guru # USE=boinc emerge cmdock If you're not using Gentoo but still want to compile CmDock yourself follow these steps...
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Send message Joined: 16 Nov 20 Posts: 8 Credit: 7,769,159 RAC: 29,066 |
Will this approach in the case of AArch64 (64-bit ARM) prevent the code of cmdock to look for libstdc++.so.6 in the wrong (32-bit) directory? |
Send message Joined: 25 Dec 20 Posts: 4 Credit: 28,433,647 RAC: 215 |
yes |
Send message Joined: 9 Oct 20 Posts: 185 Credit: 2,782,517 RAC: 50 |
Note: if you use CmDock v0.1.4 (the latest at the moment), step 6 should read: 6. Create empty file docking_out |
Send message Joined: 8 Dec 20 Posts: 5 Credit: 1,036,175 RAC: 2,262 |
UPD: As Gentoo files are updated, you need to replace @PREFIX@ in wrapper jobs with an actual path (e.g. /opt/cmdock-0.1.4): $ sed "s|@PREFIX@|/opt/cmdock-0.1.4|g" -i cmdock-boinc-zcp_job_0.1.4.xml |
Send message Joined: 7 Nov 20 Posts: 23 Credit: 603,688 RAC: 1,985 |
Replace "meson setup --prefix /opt/cmdock-0.1.2 build" with "meson setup --prefix /opt/cmdock-0.2.0 build" "meson compile" with "meson compile -C build" and "meson install" with " sudo meson install -C build" Then add following in /etc/profile export CMDOCK_ROOT=/opt/cmdock-0.2.0 export PATH=$CMDOCK_ROOT/bin:$PATH export LD_LIBRARY_PATH=$CMDOCK_ROOT/lib:$LD_LIBRARY_PATH export PERL5LIB=$CMDOCK_ROOT/lib:$PERL5LIB |
Send message Joined: 7 Nov 20 Posts: 23 Credit: 603,688 RAC: 1,985 |
I used meson setup --prefix /opt/cmdock-0.2.0 build --buildtype release --optimization=3 -Dcpp_args=' -pipe -march=native -mtune=native -flto ' -Dc_args=' -pipe -march=native -mtune=native -flto ' meson compile -C build -j 8 sudo meson install -C build app_info.xml <app_info> <app> <name>cmdock-s</name> <user_friendly_name>CurieMarieDock 0.2.0 short tasks</user_friendly_name> </app> <app> <name>cmdock-l</name> <user_friendly_name>CurieMarieDock 0.2.0 long tasks</user_friendly_name> </app> <file_info> <name>cmdock-s_wrapper_0.2.0</name> <sticky/> <executable/> </file_info> <file_info> <name>cmdock-l_wrapper_0.2.0</name> <sticky/> <executable/> </file_info> <file_info> <name>cmdock</name> <sticky/> <executable/> </file_info> <file_info> <name>cmdock-l_job_0.2.0.xml</name> <sticky/> </file_info> <file_info> <name>cmdock-s_job_0.2.0.xml</name> <sticky/> </file_info> <file_info> <name>docking_out</name> <sticky/> </file_info> <app_version> <app_name>cmdock-s</app_name> <version_num>100</version_num> <file_ref> <file_name>cmdock-s_wrapper_0.2.0</file_name> <main_program/> </file_ref> <file_ref> <file_name>cmdock</file_name> <open_name>cmdock</open_name> <copy_file/> </file_ref> <file_ref> <file_name>cmdock-s_job_0.2.0.xml</file_name> <open_name>job.xml</open_name> <copy_file/> </file_ref> <file_ref> <file_name>docking_out</file_name> <open_name>docking_out</open_name> <copy_file/> </file_ref> </app_version> <app_version> <app_name>cmdock-l</app_name> <version_num>100</version_num> <file_ref> <file_name>cmdock-l_wrapper_0.2.0</file_name> <main_program/> </file_ref> <file_ref> <file_name>cmdock</file_name> <open_name>cmdock</open_name> <copy_file/> </file_ref> <file_ref> <file_name>cmdock-l_job_0.2.0.xml</file_name> <open_name>job.xml</open_name> <copy_file/> </file_ref> <file_ref> <file_name>docking_out</file_name> <open_name>docking_out</open_name> <copy_file/> </file_ref> </app_version> </app_info> cmdock-s_job_0.2.0.xml <job_desc> <task> <application>cmdock</application> <stdout_filename>docking_log</stdout_filename> <command_line>-c -j 1 -b 1 -r target.prm -p "/opt/cmdock-0.2.0/data/scripts/dock.prm" -f htvs.ptc -i ligands.sdf -o docking_out</command_line> <checkpoint_filename>docking_out.chk</checkpoint_filename> <fraction_done_filename>docking_out.progress</fraction_done_filename> <setenv>CMDOCK_ROOT=/opt/cmdock-0.2.0/</setenv> <setenv>LD_LIBRARY_PATH=/opt/cmdock-0.2.0/lib:$LD_LIBRARY_PATH</setenv> <setenv>PERL5LIB=/opt/cmdock-0.2.0/lib:$PERL5LIB</setenv> </task> <unzip_input> <zipfilename>ligands.zip</zipfilename> </unzip_input> </job_desc> cmdock-l_job_0.2.0.xml <job_desc> <task> <application>cmdock</application> <stdout_filename>docking_log</stdout_filename> <command_line>-c -j 1 -b 1 -r target.prm -p "/opt/cmdock-0.2.0/data/scripts/dock.prm" -f htvs.ptc -i ligands.sdf -o docking_out</command_line> <checkpoint_filename>docking_out.chk</checkpoint_filename> <fraction_done_filename>docking_out.progress</fraction_done_filename> <setenv>CMDOCK_ROOT=/opt/cmdock-0.2.0/</setenv> <setenv>LD_LIBRARY_PATH=/opt/cmdock-0.2.0/lib:$LD_LIBRARY_PATH</setenv> <setenv>PERL5LIB=/opt/cmdock-0.2.0/lib:$PERL5LIB</setenv> </task> <unzip_input> <zipfilename>ligands.zip</zipfilename> </unzip_input> </job_desc> Then i created symlink with ln -s /opt/cmdock-0.2.0/bin/cmdock cmdock and created empty file with touch docking_out Also downloaded boinc wrapper from https://boinc.berkeley.edu/dl/wrapper_26014_x86_64-pc-linux-gnu.zip extracted, copied and renamed to cmdock-s_wrapper_0.2.0 and cmdock-l_wrapper_0.2.0 |
Send message Joined: 12 Feb 24 Posts: 2 Credit: 1,168,294 RAC: 0 |
hello |
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