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fix Molpro easyblock in module-only mode + adopt module_load_environment#3615

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boegel merged 2 commits intoeasybuilders:5.0.xfrom
lexming:modload-molpro
Feb 17, 2025
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fix Molpro easyblock in module-only mode + adopt module_load_environment#3615
boegel merged 2 commits intoeasybuilders:5.0.xfrom
lexming:modload-molpro

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@lexming lexming commented Feb 17, 2025

Fixes #3614 and updates for #3527

Molpro easyblock heavily relies on self.full_prefix which is defined from a CONFIG file that only exists in the build directory.

  • replace make_module_req_guess with module_load_environment and define glob patterns for PATH to possible locations of executables. This avoids needing self.full_prefix.
  • add extra guess to sanity check whenever self.full_prefix is empty. In such a case, try to also determine installation prefix based on a simple glob pattern.

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lexming commented Feb 17, 2025

Test report by @lexming

Overview of tested easyconfigs (in order)

  • SUCCESS Molpro-2012.1-intel-2018b_Linux_x86_64_i8.eb
  • SUCCESS Molpro-mpp-2012.1.57-intel-2018b.eb

Build succeeded for 2 out of 2 (2 easyconfigs in total)
login2.cerberus.os - Linux Rocky Linux 8.10, x86_64, Intel(R) Xeon(R) Gold 6126 CPU @ 2.60GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/lexming/2d74d1700b1337d2585b2a80e5ede918 for a full test report.

@boegel boegel added the change label Feb 17, 2025
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lgtm

@boegel boegel merged commit ec6c447 into easybuilders:5.0.x Feb 17, 2025
@lexming lexming deleted the modload-molpro branch February 17, 2025 19:54
@boegel boegel changed the title fix Molpro easyblock in module-only mode fix Molpro easyblock in module-only mode + adopt module_load_environment Feb 23, 2025
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