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Automatically generate NAMD makefile#902

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jhenin merged 7 commits intomasterfrom
generate-namd-makefile
Jan 22, 2026
Merged

Automatically generate NAMD makefile#902
jhenin merged 7 commits intomasterfrom
generate-namd-makefile

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@giacomofiorin giacomofiorin commented Dec 19, 2025

This PR improves automates the step of adding Colvars source files to the file Makefile.namd, which is included by the NAMD main Makefile to define the Colvars library object files.

Unfortunately, updating Make.depends requires having a software environment already set up (including CUDA), so it is not suitable for automation at this time.

@giacomofiorin giacomofiorin force-pushed the generate-namd-makefile branch 2 times, most recently from 5003932 to 8eded6d Compare January 20, 2026 19:42
@giacomofiorin giacomofiorin changed the title WIP: Generate NAMD makefile Automatically generate NAMD makefile Jan 20, 2026
@giacomofiorin giacomofiorin added NAMD maintenance No user-visible effects labels Jan 20, 2026
@giacomofiorin giacomofiorin requested a review from HanatoK January 20, 2026 19:59
@giacomofiorin giacomofiorin marked this pull request as ready for review January 20, 2026 19:59
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@HanatoK My idea was to add another call to the generate-namd-makefile.sh script for the object files build in the CUDAGM plugin (see https://gitlab.com/tcbgUIUC/namd/-/merge_requests/484). Checking with you before going further with that.

@giacomofiorin giacomofiorin force-pushed the generate-namd-makefile branch from 8eded6d to 497036e Compare January 21, 2026 17:08
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Looks good to me!

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jhenin commented Jan 22, 2026

Looking good.

@jhenin jhenin merged commit e6dda23 into master Jan 22, 2026
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@jhenin jhenin deleted the generate-namd-makefile branch January 22, 2026 09:35
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3 participants