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Revert "sci-biology/cmdock: remove unused patches"

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This reverts commit 1298cd2534.

Signed-off-by: Anna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>
This commit is contained in:
Anna (cybertailor) Vyalkova
2024-01-09 14:02:42 +05:00
parent 304cc70b3e
commit 8f10f75977
4 changed files with 85 additions and 0 deletions
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40
sci-biology/cmdock/files/app_info_0.1.4.xml Normal file
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@@ -0,0 +1,40 @@
<app_info>
<app>
<name>cmdock-boinc-zcp</name>
<user_friendly_name>CurieMarieDock on BOINC + zipped input, checkpoints and progress bar</user_friendly_name>
</app>
<file_info>
<name>cmdock-boinc-zcp_wrapper_@PV@</name>
<sticky/>
<executable/>
</file_info>
<file_info>
<name>cmdock-boinc-zcp_job_@PV@.xml</name>
<sticky/>
</file_info>
<file_info>
<name>docking_out.sd</name>
<sticky/>
</file_info>
<app_version>
<app_name>cmdock-boinc-zcp</app_name>
<version_num>200</version_num>
<file_ref>
<file_name>cmdock-boinc-zcp_wrapper_@PV@</file_name>
<main_program/>
</file_ref>
<file_ref>
<file_name>cmdock-boinc-zcp_job_@PV@.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>

15
sci-biology/cmdock/files/cmdock-0.1.4-fix-detection.patch Normal file
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@@ -0,0 +1,15 @@
--- a/meson.build
+++ b/meson.build
@@ -79,8 +79,10 @@
cpp_compiler = meson.get_compiler('cpp')
-extended_encoders_available = (cpp_compiler.has_header('emmintrin.h') and
- host_machine.cpu_family() == 'x86' and host_machine.cpu_family() == 'x86_64')
+extended_encoders_available = (
+ cpp_compiler.has_header('emmintrin.h') and
+ (host_machine.cpu_family() == 'x86' or host_machine.cpu_family() == 'x86_64')
+)
if not extended_encoders_available
add_project_arguments('-DBUNDLE_NO_SSE', language: 'cpp')

15
sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.4.xml Normal file
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@@ -0,0 +1,15 @@
<job_desc>
<task>
<application>@PREFIX@/build/cmdock</application>
<stdout_filename>docking_log</stdout_filename>
<command_line>-c -j 1 -r target.prm -p @PREFIX@/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=@PREFIX@</setenv>
<setenv>LD_LIBRARY_PATH=@PREFIX@/build:$LD_LIBRARY_PATH</setenv>
<setenv>PERL5LIB=@PREFIX@/lib:$PERL5LIB</setenv>
</task>
<unzip_input>
<zipfilename>ligands.zip</zipfilename>
</unzip_input>
</job_desc>

15
sci-biology/cmdock/files/cmdock-l_job_0.2.0.xml Normal file
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@@ -0,0 +1,15 @@
<job_desc>
<task>
<application>cmdock</application>
<stdout_filename>docking_log</stdout_filename>
<command_line>-c -j 1 -b 1 -x -r target.prm -p "@PREFIX@/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=@PREFIX@</setenv>
<setenv>LD_LIBRARY_PATH=@PREFIX@/lib:$LD_LIBRARY_PATH</setenv>
<setenv>PERL5LIB=@PREFIX@/lib:$PERL5LIB</setenv>
</task>
<unzip_input>
<zipfilename>ligands.zip</zipfilename>
</unzip_input>
</job_desc>