From 52cea818bf68f8a2d3c48d55d00c2f8b7da25e4c Mon Sep 17 00:00:00 2001 From: Daniel Hogan Date: Tue, 28 Mar 2017 22:21:18 -0600 Subject: [PATCH] Remove delete statement. When from_scratch is true, coordinates is not allocated. A separate if statement was added to handle the case when from_scratch is true that does not try to free coordinates. --- src/formats/nwchemformat.cpp | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/src/formats/nwchemformat.cpp b/src/formats/nwchemformat.cpp index 6f625ad5b..79298555f 100644 --- a/src/formats/nwchemformat.cpp +++ b/src/formats/nwchemformat.cpp @@ -232,11 +232,14 @@ static const char* OPTIMIZATION_END_PATTERN = " Optimization converged"; break; tokenize(vs,buffer); } - if ((from_scratch)||(i != natoms)) - { + if (from_scratch) + { + return; + } + if (i != natoms) { delete[] coordinates; return; - } + } molecule->AddConformer(coordinates); } ix/'>summaryrefslogtreecommitdiff
path: root/gnu/packages/apl.scm
09-17
AgeCommit message (Expand)Author
2024-08-31build-systems: gnu: Export %default-gnu-imported-modules and %default-gnu-mod......Until now users would have to cargo cult or inspect the private %default-modules variable of (guix build-systems gnu) to discover which modules to include when extending the used modules via the #:modules argument. The renaming was automated via the command: $ git grep -l %gnu-build-system-modules | xargs sed 's/%gnu-build-system-modules/%default-gnu-imported-modules/' -i * guix/build-system/gnu.scm (%gnu-build-system-modules): Rename to... (%default-gnu-imported-modules): ... this. (%default-modules): Rename to... (%default-gnu-modules): ... this. Export. (dist-package, gnu-build, gnu-cross-build): Adjust accordingly. Change-Id: Idef307fff13cb76f3182d782b26e1cd3a5c757ee Maxim Cournoyer
2024-04-04gnu: apl: Switch to openblas....* gnu/packages/apl.scm (apl): Switch input dependency from lapack to openblas. Change-Id: I29f27ee4c9277cf21fa34d718e56291427293cdf Signed-off-by: Ludovic Courtès <ludo@gnu.org> Romain GARBAGE
2023-10-18gnu: Add dzaima-apl....* gnu/packages/apl.scm (dzaim-apl): New variable. Co-authored-by: Ludovic Courtès <ludo@gnu.org> B. Wilson
gnu: home: zsh: Load environment when running via ssh...* gnu/home/services/shells.scm (zsh-file-zshenv): Add snippet to source /etc/profile when running via ssh. (zsh-get-configuration-files): Always add .zshenv as it is never empty. Signed-off-by: Ludovic Courtès <ludo@gnu.org> Saku Laesvuori
2023-07-11home: services: bash: Properly quote shell aliases....Fixes <https://issues.guix.gnu.org/63048>. Reported by Ekaitz Zarraga <ekaitz@elenq.tech>. * gnu/home/services.scm (with-shell-quotation-bindings): New procedure. (environment-variable-shell-definitions): Use it instead of inline copy. * gnu/home/services/shells.scm (bash-serialize-aliases): Use it. Add clause for 'literal-string?'. * tests/guix-home.sh: Add 'aliases' to 'home-bash-extension' and test it. Ludovic Courtès
2023-07-05home: Add inputrc service....* gnu/home/services/shells.scm (home-inputrc-service-type, home-inputrc-configuration): New variables. (serialize-inputrc-key-bindings, serialize-inputrc-variables, serialize-inputrc-conditional-constructs, serialize-inputrc-extra-content): New procedures. * doc/guix.texi (Shells Home Services): Document it. Efraim Flashner
2023-04-02services: replace bare serializers with (serializer ...)...* gnu/home/services/shells.scm (home-zsh-configuration)[environment-variables]: Use (serializer ...). (home-bash-configuration)[aliases, environment-variables]: Likewise. (home-fish-configuration)[abbreviations, aliases] [environment-variables]: Likewise. * gnu/services/audio.scm (mpd-configuration)[music-dir, playlist-dir] [endpoints, address, inputs, archive-plugins, input-cache-size] [decoders, filters, playlist-plugins]: Likewise. * gnu/services/linux.scm (fstrim-configuration)[extra-arguments]: Likewise. * gnu/services/security.scm (fail2ban-jail-configuration)[backend] [log-encoding, extra-content]: Likewise. * tests/services/configuration.scm: Update tests. ("serialize-configuration [deprecated]"): New test. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com> Bruno Victal