Build AmberTools 22.5

[swails]

This update fixes compatibility of AmberTools 22 with ParmEd >=4.0.0

Checklist

• [x] Used a personal fork of the feedstock to propose changes
• [ ] Bumped the build number (if the version is unchanged)
• [x] Reset the build number to 0 (if the version changed)
• [x] Re-rendered with the latest conda-smithy (Use the phrase code>@<space/conda-forge-admin, please rerender in a comment in this PR for automated rerendering)
• [x] Ensured the license file is being packaged.

closing #105

[conda-forge-webservices[bot]]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

I do have some suggestions for making it better though...

For recipe:

• License is not an SPDX identifier (or a custom LicenseRef) nor an SPDX license expression.

Documentation on acceptable licenses can be found here.

[swails]

@conda-forge-admin, please rerender

[github-actions[bot]]

Hi! This is the friendly automated conda-forge-webservice.

I tried to rerender for you, but it looks like there was nothing to do.

This message was generated by GitHub actions workflow run https://github.com/conda-forge/ambertools-feedstock/actions/runs/4811601975.

[jaimergp]

Huh, what happened with pdb4amber in macOS? 🤔

[swails]

I have no idea. I didn’t change anything.

[swails]

pdb4amber isn't the problem. The problem is that the cmake build failed (5% into the build) when building cifparse:

2023-04-26T17:45:34.6236990Z [  5%] Linking C shared library libcifparse.dylib
2023-04-26T17:45:34.6945700Z ld: warning: -pie being ignored. It is only used when linking a main executable
2023-04-26T17:45:34.7043780Z duplicate symbol '_cifpin' in:
2023-04-26T17:45:34.7045190Z     CMakeFiles/cifparse.dir/cifparse.c.o
2023-04-26T17:45:34.7046380Z     CMakeFiles/cifparse.dir/lex.cif.c.o
2023-04-26T17:45:34.7047760Z ld: 1 duplicate symbol for architecture x86_64
2023-04-26T17:45:34.7049670Z clang-15: error: linker command failed with exit code 1 (use -v to see invocation)
2023-04-26T17:45:34.7089590Z make[2]: *** [AmberTools/src/cifparse/CMakeFiles/cifparse.dir/build.make:141: AmberTools/src/cifparse/libcifparse.dylib] Error 1
2023-04-26T17:45:34.7092010Z make[1]: *** [CMakeFiles/Makefile2:1890: AmberTools/src/cifparse/CMakeFiles/cifparse.dir/all] Error 2
2023-04-26T17:45:34.7095920Z make: *** [Makefile:156: all] Error 2

It must be a difference in building toolchain between the last (successful) build and this one, but only on osx_64 :/

[swails]

I think I fixed it :(

[swails]

It's this problem that hasn't been fixed yet upstream: https://github.com/conda-forge/ambertools-feedstock/pull/50#issuecomment-756171906

The max version pin where the -fcommon flag was applied was 2204, but this is the 2205 patch.

[swails]

This should be ready to merge.

[jaimergp]

Thanks!