Toolchain: Packages updating

[Growl1234]

• OpenMPI 5.0.8 -> 5.0.10 (alt: 4.1.6 -> 4.1.8)
• MPICH 4.3.1 -> 5.0.1 (alt: 4.1.0 -> 4.3.2)
• OpenBLAS 0.3.30 -> 0.3.33 (alt: 0.3.27 -> 0.3.30)
• ELPA 2025.06.001 -> 2026.02.001
• FFTW 3.3.10 -> 3.3.11

[Copilot]

Pull request overview

Note

Copilot was unable to run its full agentic suite in this review.

Updates toolchain package version pins (and corresponding SHA-256 checksums) for core MPI and scientific libraries.

Changes:

• Bump OpenMPI main/alt versions to 5.0.10 / 4.1.8 with updated checksums
• Bump MPICH main/alt versions to 5.0.1 / 4.3.2 with updated checksums
• Bump OpenBLAS, ELPA, and FFTW versions with updated checksums (FFTW now uses distinct main vs alt)

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[Growl1234]

There occurs a failure when configuring MPICH via toolchain due to not finding libdl, which seems quite strange to me because libdl is under /usr/lib64 and when I build MPICH myself (not via toolchain) with the same configure option it doesn't run into any problem.

[QuantumMisaka]

There occurs a failure when configuring MPICH via toolchain due to not finding libdl, which seems quite strange to me because libdl is under /usr/lib64 and when I build MPICH myself (not via toolchain) with the same configure option it doesn't run into any problem.

Does this problem only exist in MPICH v5 ?

[Growl1234]

It also happens with 4.3.2. Currently I believe it is related to toolchain settings, and I'm having a look at it.

…

---Original--- From: "James ***@***.***> Date: Tue, Apr 28, 2026 22:12 PM To: ***@***.***>; Cc: "SY ***@***.******@***.***>; Subject: Re: [deepmodeling/abacus-develop] Toolchain: Packages updating (PR #7285) QuantumMisaka left a comment (deepmodeling/abacus-develop#7285) There occurs a failure when configuring MPICH via toolchain due to not finding libdl, which seems quite strange to me because libdl is under /usr/lib64 and when I build MPICH myself (not via toolchain) with the same configure option it doesn't run into any problem. Does this problem only exist in MPICH v5 ? — Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: ***@***.***>

[Growl1234]

The crucial part of logs is here (toolchain/build/mpich-5.0.1/modules/libfabric/config.log):

configure:16006: checking for dlopen in -ldl
configure:16031: /usr/bin/gcc -o conftest -fsanitize=thread -O2 -DNDEBUG   -fvisibility=hidden     conftest.c -ldl    >&5
/usr/bin/ld: cannot find /usr/lib64/libtsan.so.2.0.0: No such file or directory
collect2: error: ld returned 1 exit status
configure:16031: $? = 1

The passing of -fsanitize=thread makes the configuration require libtsan which doesn't exist on my computer. Even after I install libtsan, the building of MPICH fails due to linking errors.

However, with CP2K toolchain, or when I build MPICH directly by myself, this condition doesn't occur:

configure:16006: checking for dlopen in -ldl
configure:16031: gcc -o conftest -O2 -DNDEBUG   -fvisibility=hidden     conftest.c -ldl    >&5
configure:16031: $? = 0

[Growl1234]

It should be fixed now with the latest commit.

[Growl1234]

I'm afraid the other enable_* values in /toolchain/scripts/lib/config_manager.sh should use capital letters too in case some packages using autotools parse them by mistake.

[QuantumMisaka]

I'm afraid the other enable_* values in /toolchain/scripts/lib/config_manager.sh should use capital letters too in case some packages using autotools parse them by mistake.

Got it, I'll spare sometime to check it.

[QuantumMisaka]

LGTM