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Issue19 C executable use correct interface #21

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merged 3 commits into from
Jul 1, 2024
Merged

Issue19 C executable use correct interface #21

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d309da2
test_C_main.c: call extxyz_read_ll with needed args
stenczelt Jun 29, 2024
aa93490
CI: build the C executable as well
stenczelt Jun 29, 2024
9f9726a
CI: build on python3.12 as well
stenczelt Jun 29, 2024
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9 changes: 6 additions & 3 deletions .github/workflows/python-package.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ jobs:
strategy:
fail-fast: false
matrix:
python-version: [3.7, 3.8, 3.9, "3.10", "3.11"]
python-version: [3.7, 3.8, 3.9, "3.10", "3.11", "3.12"]

steps:
- name: Checkout repository
Expand All @@ -39,7 +39,7 @@ jobs:
# exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics --exclude=.git,QUIP
- name: Build QUIP/libAtoms
env:
env:
QUIP_ARCH: linux_x86_64_gfortran
HAVE_GAP: 0
run: |
Expand All @@ -51,7 +51,10 @@ jobs:
git clone --recursive https://github.com/libAtoms/QUIP QUIP
mkdir -p QUIP/build/${QUIP_ARCH}
cp QUIP/.github/workflows/Makefile.inc QUIP/build/${QUIP_ARCH}/Makefile.inc
(cd QUIP && make libAtoms)
(cd QUIP && make libAtoms)
- name: Build C executable
run:
make -C libextxyz cextxyz
- name: Build Fortran executable
env:
QUIP_ARCH: linux_x86_64_gfortran
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5 changes: 4 additions & 1 deletion libextxyz/test_C_main.c
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Expand Up @@ -14,7 +14,10 @@ int main(int argc, char *argv[]) {
int nat;
DictEntry *info, *arrays;

int success = extxyz_read_ll(kv_grammar, fp, &nat, &info, &arrays);
char comment;
char error_message;

int success = extxyz_read_ll(kv_grammar, fp, &nat, &info, &arrays, &comment, &error_message);
if (! strcmp(argv[2], "T")) {
printf("parsed success %d\n", success);
printf("nat %d\n", nat);
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