Skip to content

Add servalcat and acedrg modules #135

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
eunos-1128 merged 80 commits into from
Jan 5, 2026
Merged

Add servalcat and acedrg modules #135

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
80 commits
Select commit Hold shift + click to select a range
6cd14de
Update dependencies with x-checker-data and runtime version to suppor…
eunos-1128 Dec 30, 2025
405db8d
Fix paths for config.sub and config.guess in fftw2 module
eunos-1128 Dec 30, 2025
ce8110b
Improve pypi-dependencies script formatting and add Cython to require…
eunos-1128 Dec 30, 2025
8a54331
Update flatpak-builder-tools submodule to latest commit
eunos-1128 Dec 30, 2025
8c0364e
Refactor pypi-dependencies script to improve error handling and strea…
eunos-1128 Dec 30, 2025
d11745a
Fix library_utils.c in libccp4 module to include stdlib.h and declare…
eunos-1128 Dec 30, 2025
d22125f
Add build-options for unused-result warning
eunos-1128 Dec 30, 2025
bca1f77
Add 'old-style-definition' to cflags in YAML config
eunos-1128 Dec 30, 2025
5e327a2
Update g-wrap module SHA256 checksum for source integrity
eunos-1128 Dec 30, 2025
eb4a5f1
chore: Alter comment for pypi deps
eunos-1128 Dec 30, 2025
bc908d1
Fix cflags formatting for libgd module build options
eunos-1128 Dec 30, 2025
c052132
Update g-wrap module URL and SHA256 checksum for source integrity
eunos-1128 Dec 30, 2025
a59da91
Update raster3d module URL and SHA256 checksum for source integrity
eunos-1128 Dec 30, 2025
f51cbdf
Fix raster3d module URL to remove `.gz` suffix
eunos-1128 Dec 30, 2025
43dddb0
Rename a patch file and path in the manifest
eunos-1128 Dec 30, 2025
7b0aee7
Add minimum CMake policy version to config options for eigen module
eunos-1128 Dec 30, 2025
fba2495
Update rdkit module tag to `Release_2025_03_3`
eunos-1128 Dec 30, 2025
8830f7d
Include `better_enums` and modify build scripts
eunos-1128 Dec 30, 2025
2aad5cf
Merge branch 'flathub:master' into master
eunos-1128 Dec 31, 2025
f280c59
Change source type to archive for `x-checker-data`
eunos-1128 Dec 31, 2025
8386502
Merge branch 'master' into master
eunos-1128 Dec 31, 2025
25ffb9c
Update dependency entries with x-checker-data
eunos-1128 Dec 31, 2025
ffa0213
Clarify comments in io.github.pemsley.coot.yaml
eunos-1128 Dec 31, 2025
8336b14
Simplify cleanup section in io.github.pemsley.coot.yaml
eunos-1128 Dec 31, 2025
2ee0372
Implement gcc 15 workarounds in Coot YAML config
eunos-1128 Dec 31, 2025
f8a91f3
Document Guile 3.0 incompatibility with GTK4
eunos-1128 Dec 31, 2025
9d58327
Merge branch 'flathub:master' into master
eunos-1128 Jan 1, 2026
7bf6bcb
Remove debug flag from cxxflags except coot module
eunos-1128 Jan 1, 2026
e3888ef
Modify build options and thread count for dependencies
eunos-1128 Jan 1, 2026
15a8419
Update build options to include -fno-strict-aliasing
eunos-1128 Jan 1, 2026
82642b2
Add CXX optimization flag -O3 to build options for rdkit module
eunos-1128 Jan 1, 2026
5b9f8f8
Update config options for various autotools packages
eunos-1128 Jan 1, 2026
5b2ad9b
Modify threading configuration for openblas module
eunos-1128 Jan 1, 2026
1bf683d
Update build options for optimization and libraries for gsl module
eunos-1128 Jan 1, 2026
0857a3c
Add `LIBS: -lopenblas` as environmental variable for gsl module
eunos-1128 Jan 1, 2026
1903d9b
Update finish-args in the manifest
eunos-1128 Jan 1, 2026
646b0ff
Add comment for GDK_DEBUG in coot.yaml
eunos-1128 Jan 1, 2026
543ea76
Update build options for gsl module
eunos-1128 Jan 1, 2026
79527e2
Add note on FFTW3 compatibility in the manifest
eunos-1128 Jan 1, 2026
9c7ba0f
Modify Raster3D version pattern and URL template
eunos-1128 Jan 1, 2026
656ec3b
Add new configuration options for coot build
eunos-1128 Jan 1, 2026
23f69a2
Update configuration options in coot.yaml
eunos-1128 Jan 1, 2026
75a0a82
Merge branch 'master' into master
eunos-1128 Jan 1, 2026
58520d3
Update guile-cairo download URL to HTTPS
eunos-1128 Jan 1, 2026
76d21b1
Add build options and flags in the manifest
eunos-1128 Jan 1, 2026
681354d
Update cflags to suppress deprecated warnings
eunos-1128 Jan 1, 2026
d36b421
Remove `-Werror` from configure for guile-gnome-platform
eunos-1128 Jan 1, 2026
59abd5d
Remove --disable-Werror and related shell commands
eunos-1128 Jan 1, 2026
d6531af
Merge branch 'flathub:master' into master
eunos-1128 Jan 1, 2026
157f2a7
Update Python dependencies in requirements and pypi-dependencies files
eunos-1128 Jan 1, 2026
71ff921
Update gemmi module configuration to disable Python usage and clean u…
eunos-1128 Jan 1, 2026
82baba9
Remove unused Python dependencies from pypi-dependencies.json
eunos-1128 Jan 1, 2026
48bdc21
Remove unused build flag -DNO_SVE from openblas module configuration
eunos-1128 Jan 1, 2026
b3cf901
Add Python dependencies for packaging and build tools in requirements…
eunos-1128 Jan 1, 2026
5292634
Merge branch 'flathub:master' into master
eunos-1128 Jan 1, 2026
8be3634
Remove gemmi dependency from pypi-dependencies.json and enable Python…
eunos-1128 Jan 1, 2026
5758086
Enable cmake to detect gemmi and nanobind for servalcat module
eunos-1128 Jan 2, 2026
e73c575
Disable Python usage in gemmi module configuration to use PyPI packag…
eunos-1128 Jan 2, 2026
1f545e4
Install pypi gemmi prior to CMake build of gemmi module
eunos-1128 Jan 2, 2026
57403c3
Merge branch 'master' into master
eunos-1128 Jan 2, 2026
eec3634
Update servalcat installation command and enable Python bindings for …
eunos-1128 Jan 2, 2026
d375091
Add acedrg module and reorder pypi module installations
eunos-1128 Jan 2, 2026
4b5f86f
Add environment variables for LIBMOL_ROOT and CLIBD_MON in finish-args
eunos-1128 Jan 2, 2026
dab429c
servalcat: update installation command and ignore gemmi package
eunos-1128 Jan 2, 2026
5825df0
Add servalcat module and update requirements for dependencies
eunos-1128 Jan 2, 2026
440adb6
Fix ite-packages path for acedrg module
eunos-1128 Jan 2, 2026
5b375d6
Fix build commands format for servalcat module
eunos-1128 Jan 2, 2026
a735abe
Fix escape character in find-links option for servalcat module
eunos-1128 Jan 2, 2026
7c3a834
Fix formatting of find-links and prefix options for servalcat module
eunos-1128 Jan 2, 2026
240c476
Fix build commands for servalcat module to improve installation process
eunos-1128 Jan 2, 2026
699c9d1
Fix version numbers for nanobind and scikit-build-core in dependencies
eunos-1128 Jan 2, 2026
f5f97ae
Fix formatting of build commands for servalcat module
eunos-1128 Jan 2, 2026
bc31657
Fix build commands for acedrg module and improve installation process
eunos-1128 Jan 2, 2026
97007a7
Modify build options for acedrg module to set `PYTHONUSERBASE` enviro…
eunos-1128 Jan 2, 2026
592be47
Patch `Python_SITELIB` in CMakeLists.txt for acedrg module
eunos-1128 Jan 2, 2026
c2921b7
Update environment variables for acedrg and bump gemmi and servalcat …
eunos-1128 Jan 3, 2026
aa15fe6
Replace `ccp4-python` with `python` in acedrg module using grep for i…
eunos-1128 Jan 3, 2026
0943d8b
Add TODO comment for future update of `CLIBD_MON` environment variable
eunos-1128 Jan 3, 2026
765a58f
Remove vendored eigen for servalcat module
eunos-1128 Jan 3, 2026
64c4f55
Update `CLIBD_MON` environment variable path for acedrg
eunos-1128 Jan 3, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
Loading