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bugfix: Update MAXIT v11.200 #50687

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@eunos-1128 eunos-1128 commented Sep 13, 2024

maxit gives error when running commands like below.

maxit -input 7KNT.pdb -output 7KNT.cif -o 1

NdbToken::Read: Can't find /opt/conda/conda-bld/maxit_1726160673498/work/data/binary/ndb_tokens.odb                                                                                  
SpaceGroup::Read: Can't find /opt/conda/conda-bld/maxit_1726160673498/work/data/binary/space_group.odb                                                                                 
CategoryMapping::Read: Can't find /opt/conda/conda-bld/maxit_1726160673498/work/data/binary/ndb_cif.odb
++ERROR - Read chemical component dictionary failed.    

data/{ascii,binary} installed incorrectly looks to cause this.


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@eunos-1128 eunos-1128 force-pushed the maxit/v11.200 branch 2 times, most recently from ff372cc to e78f140 Compare September 19, 2024 06:18
@eunos-1128 eunos-1128 marked this pull request as ready for review September 19, 2024 09:56
- binary.csh.patch # [linux]
- system-util.C.patch # [linux]
- Makefile.patch # [linux]
- path: ./data-binary_linux-x86_64.tar.xz # [linux]
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I added compressed file of data/binary/* to use it for build on linux.

Compiling and preparing data/binary/* on linux always fails due to memory shortage.

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@BiocondaBot please fetch artifacts

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eunos-1128 commented Sep 19, 2024

@BiocondaBot please add label

Now ready for review.

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Package(s) built are ready for inspection:

Arch Package Zip File / Repodata CI Instructions
linux-64 maxit-11.200-hdbdd923_1.tar.bz2 LinuxArtifacts.zip Azure
showYou may also use conda to install after downloading and extracting the zip file. From the LinuxArtifacts directory: conda install -c ./packages <package name>
osx-64 maxit-11.200-h4a92bd6_1.tar.bz2 OSXArtifacts.zip Azure
showYou may also use conda to install after downloading and extracting the zip file. From the OSXArtifacts directory: conda install -c ./packages <package name>
osx-arm64 maxit-11.200-h85d7946_1.tar.bz2 repodata.json CircleCI
showYou may also use conda to install:conda install -c https://output.circle-artifacts.com/output/job/cda7991a-c9eb-48af-b3a2-71e55cf015fe/artifacts/0/tmp/artifacts/packages <package name>

Docker image(s) built:

Package Tag CI Install with docker
maxit 11.200--hdbdd923_1 Azure
showImages for Azure are in the LinuxArtifacts zip file above.gzip -dc LinuxArtifacts/images/maxit:11.200--hdbdd923_1.tar.gz | docker load

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