blob: fe680ba58539f4890c71172603e1ca8026527993 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
|
PORTNAME= libcint
DISTVERSIONPREFIX= v
DISTVERSION= 5.4.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= General GTO integrals for quantum chemistry
WWW= https://github.com/sunqm/libcint
LICENSE= BSD2CLAUSE
LICENSE_FILE= ${WRKSRC}/LICENSE
LIB_DEPENDS= libopenblas.so:math/openblas
TEST_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}pyscf>0:science/py-pyscf@${PY_FLAVOR}
USES= cmake blaslapack:openblas python:test
USE_LDCONFIG= yes
USE_GITHUB= yes
GH_ACCOUNT= sunqm
PLIST_FILES= include/cint.h \
include/cint_funcs.h \
lib/libcint.so \
lib/libcint.so.${PORTVERSION:R:R} \
lib/libcint.so.${PORTVERSION}
post-patch:
@${REINPLACE_CMD} -e "s|numpy\\.ctypeslib\\.load_library('libcint', .*$$|numpy.ctypeslib.load_library('libcint', '${BUILD_WRKSRC}')|" \
${WRKSRC}/testsuite/test_cint4c1e.py \
${WRKSRC}/testsuite/test_cint.py \
${WRKSRC}/testsuite/test_3c2e.py
do-test: # needs science/py-pyscf, pending https://github.com/pyscf/pyscf/issues/935
@cd ${BUILD_WRKSRC} && \
${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DENABLE_TEST:BOOL=ON ${CMAKE_SOURCE_PATH} && \
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test
.include <bsd.port.mk>
|
