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Modernize MRCPP#281

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msnik1999 wants to merge 18 commits into
MRChemSoft:masterfrom
msnik1999:modernize
Open

Modernize MRCPP#281
msnik1999 wants to merge 18 commits into
MRChemSoft:masterfrom
msnik1999:modernize

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@msnik1999

@msnik1999 msnik1999 commented May 29, 2026

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Complementary to this MRChem PR

Modernizing MRCPP

  • clean-up cmake
    • more user-accessible cmake options
    • "unify" cmake files (make different cmake files more similar)
    • remove warnings with cmake 4.x.x
    • more cmake output (progress / status)
  • locking current upper versioning in libraries
    • cmake
    • compilers (Intel a bit unclear, as "classic" ICC compilers are no longer updated)
    • Eigen3
    • Catch
  • Updating install documentation

@msnik1999 msnik1999 linked an issue Jun 10, 2026 that may be closed by this pull request
@msnik1999 msnik1999 linked an issue Jun 10, 2026 that may be closed by this pull request
@msnik1999 msnik1999 marked this pull request as ready for review July 7, 2026 12:17
@msnik1999 msnik1999 removed the WIP Work In Progress label Jul 7, 2026
@msnik1999 msnik1999 mentioned this pull request Jul 7, 2026
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Static code analysis (MRCpp) Fix warnings appearing when compiling with clang

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